1-butyl-4-propan-2-ylpiperazine;N-(cyclobutylmethyl)propan-2-amine;N-(cyclopentylmethyl)propan-2-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-1-propan-2-ylpyrrolidine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;3-methoxy-1-propan-2-ylpyrrolidine;bis(3-methyl-1-propan-2-ylpyrrolidine);3-(2-methylpropyl)pyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;8-propan-2-yl-5,8-diazaspiro[3.5]nonane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-propan-2-yl-4-(2-propoxyethyl)piperazine;bis(1-propan-2-yl-4-propylpiperazine)

C170H362FN29O6S — CID 162169781

About 1-butyl-4-propan-2-ylpiperazine;N-(cyclobutylmethyl)propan-2-amine;N-(cyclopentylmethyl)propan-2-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-1-propan-2-ylpyrrolidine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;3-methoxy-1-propan-2-ylpyrrolidine;bis(3-methyl-1-propan-2-ylpyrrolidine);3-(2-methylpropyl)pyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;8-propan-2-yl-5,8-diazaspiro[3.5]nonane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-propan-2-yl-4-(2-propoxyethyl)piperazine;bis(1-propan-2-yl-4-propylpiperazine)

1-butyl-4-propan-2-ylpiperazine;N-(cyclobutylmethyl)propan-2-amine;N-(cyclopentylmethyl)propan-2-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-1-propan-2-ylpyrrolidine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;3-methoxy-1-propan-2-ylpyrrolidine;bis(3-methyl-1-propan-2-ylpyrrolidine);3-(2-methylpropyl)pyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;8-propan-2-yl-5,8-diazaspiro[3.5]nonane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-propan-2-yl-4-(2-propoxyethyl)piperazine;bis(1-propan-2-yl-4-propylpiperazine) (PubChem CID 162169781) has the molecular formula C170H362FN29O6S and a molecular weight of 2960.03 g/mol. Its IUPAC name is 1-butyl-4-propan-2-ylpiperazine;N-(cyclobutylmethyl)propan-2-amine;N-(cyclopentylmethyl)propan-2-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-1-propan-2-ylpyrrolidine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;3-methoxy-1-propan-2-ylpyrrolidine;bis(3-methyl-1-propan-2-ylpyrrolidine);3-(2-methylpropyl)pyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;8-propan-2-yl-5,8-diazaspiro[3.5]nonane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-propan-2-yl-4-(2-propoxyethyl)piperazine;bis(1-propan-2-yl-4-propylpiperazine).

Molecular Properties

• Compound Name: 1-butyl-4-propan-2-ylpiperazine;N-(cyclobutylmethyl)propan-2-amine;N-(cyclopentylmethyl)propan-2-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-1-propan-2-ylpyrrolidine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;3-methoxy-1-propan-2-ylpyrrolidine;bis(3-methyl-1-propan-2-ylpyrrolidine);3-(2-methylpropyl)pyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;8-propan-2-yl-5,8-diazaspiro[3.5]nonane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-propan-2-yl-4-(2-propoxyethyl)piperazine;bis(1-propan-2-yl-4-propylpiperazine)
• PubChem CID: 162169781
• Molecular Formula: C170H362FN29O6S
• Molecular Weight: 2960.03 g/mol
• Exact Mass: 2957.86
• IUPAC Name: 1-butyl-4-propan-2-ylpiperazine;N-(cyclobutylmethyl)propan-2-amine;N-(cyclopentylmethyl)propan-2-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-1-propan-2-ylpyrrolidine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;3-methoxy-1-propan-2-ylpyrrolidine;bis(3-methyl-1-propan-2-ylpyrrolidine);3-(2-methylpropyl)pyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;8-propan-2-yl-5,8-diazaspiro[3.5]nonane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-propan-2-yl-4-(2-propoxyethyl)piperazine;bis(1-propan-2-yl-4-propylpiperazine)
• SMILES: CC(C)CC1CCNC1.CC(C)N1CCC(F)C1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCN(S(C)(=O)=O)CC1.CC(C)N1CCNC2(CCC2)C1.CC(C)N1CCNC2(CCCC2)C1.CC(C)N1CCNC2(CCCCC2)C1.CC(C)NCC1CCC1.CC(C)NCC1CCCC1.CC1CCN(C(C)C)C1.CC1CCN(C(C)C)C1.CCC(O)CN1CCN(C(C)C)CC1.CCCCN1CCN(C(C)C)CC1.CCCN1CCN(C(C)C)CC1.CCCN1CCN(C(C)C)CC1.CCCOCCN1CCN(C(C)C)CC1.COC1CCN(C(C)C)C1.COCCN1CCN(C(C)C)CC1
• InChI: InChI=1S/C12H26N2O.C12H24N2.C11H24N2O.C11H22N2.C11H24N2.C10H22N2O.C10H20N2.2C10H22N2.C9H20N2.C9H19N.C8H18N2O2S.C8H17NO.4C8H17N.C7H14FN/c1-4-10-15-11-9-13-5-7-14(8-6-13)12(2)3;1-11(2)14-9-8-13-12(10-14)6-4-3-5-7-12;1-4-11(14)9-12-5-7-13(8-6-12)10(2)3;1-10(2)13-8-7-12-11(9-13)5-3-4-6-11;1-4-5-6-12-7-9-13(10-8-12)11(2)3;1-10(2)12-6-4-11(5-7-12)8-9-13-3;1-9(2)12-7-6-11-10(8-12)4-3-5-10;2*1-4-5-11-6-8-12(9-7-11)10(2)3;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)10-7-9-5-3-4-6-9;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-7(2)9-5-4-8(6-9)10-3;2*1-7(2)9-5-4-8(3)6-9;1-7(2)5-8-3-4-9-6-8;1-7(2)9-6-8-4-3-5-8;1-6(2)9-4-3-7(8)5-9/h12H,4-11H2,1-3H3;11,13H,3-10H2,1-2H3;10-11,14H,4-9H2,1-3H3;10,12H,3-9H2,1-2H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;9,11H,3-8H2,1-2H3;2*10H,4-9H2,1-3H3;8-9H,5-7H2,1-4H3;8-10H,3-7H2,1-2H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;2*7-8H,4-6H2,1-3H3;2*7-9H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3
• InChIKey: ZNQBGIYWKZZHTA-UHFFFAOYSA-N
• XLogP: 25.01
• TPSA: 228.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 44
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2960.03
LogP ≤ 5	25.01
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-propan-2-ylpiperazine;N-(cyclobutylmethyl)propan-2-amine;N-(cyclopentylmethyl)propan-2-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-1-propan-2-ylpyrrolidine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;3-methoxy-1-propan-2-ylpyrrolidine;bis(3-methyl-1-propan-2-ylpyrrolidine);3-(2-methylpropyl)pyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;8-propan-2-yl-5,8-diazaspiro[3.5]nonane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-propan-2-yl-4-(2-propoxyethyl)piperazine;bis(1-propan-2-yl-4-propylpiperazine)?

The IUPAC name of 1-butyl-4-propan-2-ylpiperazine;N-(cyclobutylmethyl)propan-2-amine;N-(cyclopentylmethyl)propan-2-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-1-propan-2-ylpyrrolidine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;3-methoxy-1-propan-2-ylpyrrolidine;bis(3-methyl-1-propan-2-ylpyrrolidine);3-(2-methylpropyl)pyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;8-propan-2-yl-5,8-diazaspiro[3.5]nonane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-propan-2-yl-4-(2-propoxyethyl)piperazine;bis(1-propan-2-yl-4-propylpiperazine) (CID 162169781) is 1-butyl-4-propan-2-ylpiperazine;N-(cyclobutylmethyl)propan-2-amine;N-(cyclopentylmethyl)propan-2-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-1-propan-2-ylpyrrolidine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;3-methoxy-1-propan-2-ylpyrrolidine;bis(3-methyl-1-propan-2-ylpyrrolidine);3-(2-methylpropyl)pyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;8-propan-2-yl-5,8-diazaspiro[3.5]nonane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-propan-2-yl-4-(2-propoxyethyl)piperazine;bis(1-propan-2-yl-4-propylpiperazine).

What is the SMILES notation for 1-butyl-4-propan-2-ylpiperazine;N-(cyclobutylmethyl)propan-2-amine;N-(cyclopentylmethyl)propan-2-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-1-propan-2-ylpyrrolidine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;3-methoxy-1-propan-2-ylpyrrolidine;bis(3-methyl-1-propan-2-ylpyrrolidine);3-(2-methylpropyl)pyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;8-propan-2-yl-5,8-diazaspiro[3.5]nonane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-propan-2-yl-4-(2-propoxyethyl)piperazine;bis(1-propan-2-yl-4-propylpiperazine)?

The canonical SMILES for 1-butyl-4-propan-2-ylpiperazine;N-(cyclobutylmethyl)propan-2-amine;N-(cyclopentylmethyl)propan-2-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-1-propan-2-ylpyrrolidine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;3-methoxy-1-propan-2-ylpyrrolidine;bis(3-methyl-1-propan-2-ylpyrrolidine);3-(2-methylpropyl)pyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;8-propan-2-yl-5,8-diazaspiro[3.5]nonane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-propan-2-yl-4-(2-propoxyethyl)piperazine;bis(1-propan-2-yl-4-propylpiperazine) is CC(C)CC1CCNC1.CC(C)N1CCC(F)C1.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCN(S(C)(=O)=O)CC1.CC(C)N1CCNC2(CCC2)C1.CC(C)N1CCNC2(CCCC2)C1.CC(C)N1CCNC2(CCCCC2)C1.CC(C)NCC1CCC1.CC(C)NCC1CCCC1.CC1CCN(C(C)C)C1.CC1CCN(C(C)C)C1.CCC(O)CN1CCN(C(C)C)CC1.CCCCN1CCN(C(C)C)CC1.CCCN1CCN(C(C)C)CC1.CCCN1CCN(C(C)C)CC1.CCCOCCN1CCN(C(C)C)CC1.COC1CCN(C(C)C)C1.COCCN1CCN(C(C)C)CC1.

What is the InChIKey of 1-butyl-4-propan-2-ylpiperazine;N-(cyclobutylmethyl)propan-2-amine;N-(cyclopentylmethyl)propan-2-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-1-propan-2-ylpyrrolidine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;3-methoxy-1-propan-2-ylpyrrolidine;bis(3-methyl-1-propan-2-ylpyrrolidine);3-(2-methylpropyl)pyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;8-propan-2-yl-5,8-diazaspiro[3.5]nonane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-propan-2-yl-4-(2-propoxyethyl)piperazine;bis(1-propan-2-yl-4-propylpiperazine)?

The InChIKey is ZNQBGIYWKZZHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.C12H24N2.C11H24N2O.C11H22N2.C11H24N2.C10H22N2O.C10H20N2.2C10H22N2.C9H20N2.C9H19N.C8H18N2O2S.C8H17NO.4C8H17N.C7H14FN/c1-4-10-15-11-9-13-5-7-14(8-6-13)12(2)3;1-11(2)14-9-8-13-12(10-14)6-4-3-5-7-12;1-4-11(14)9-12-5-7-13(8-6-12)10(2)3;1-10(2)13-8-7-12-11(9-13)5-3-4-6-11;1-4-5-6-12-7-9-13(10-8-12)11(2)3;1-10(2)12-6-4-11(5-7-12)8-9-13-3;1-9(2)12-7-6-11-10(8-12)4-3-5-10;2*1-4-5-11-6-8-12(9-7-11)10(2)3;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)10-7-9-5-3-4-6-9;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-7(2)9-5-4-8(6-9)10-3;2*1-7(2)9-5-4-8(3)6-9;1-7(2)5-8-3-4-9-6-8;1-7(2)9-6-8-4-3-5-8;1-6(2)9-4-3-7(8)5-9/h12H,4-11H2,1-3H3;11,13H,3-10H2,1-2H3;10-11,14H,4-9H2,1-3H3;10,12H,3-9H2,1-2H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;9,11H,3-8H2,1-2H3;2*10H,4-9H2,1-3H3;8-9H,5-7H2,1-4H3;8-10H,3-7H2,1-2H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;2*7-8H,4-6H2,1-3H3;2*7-9H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3.

What are the key properties of 1-butyl-4-propan-2-ylpiperazine;N-(cyclobutylmethyl)propan-2-amine;N-(cyclopentylmethyl)propan-2-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-1-propan-2-ylpyrrolidine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;3-methoxy-1-propan-2-ylpyrrolidine;bis(3-methyl-1-propan-2-ylpyrrolidine);3-(2-methylpropyl)pyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;8-propan-2-yl-5,8-diazaspiro[3.5]nonane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-propan-2-yl-4-(2-propoxyethyl)piperazine;bis(1-propan-2-yl-4-propylpiperazine)?

1-butyl-4-propan-2-ylpiperazine;N-(cyclobutylmethyl)propan-2-amine;N-(cyclopentylmethyl)propan-2-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-1-propan-2-ylpyrrolidine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;3-methoxy-1-propan-2-ylpyrrolidine;bis(3-methyl-1-propan-2-ylpyrrolidine);3-(2-methylpropyl)pyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;8-propan-2-yl-5,8-diazaspiro[3.5]nonane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-propan-2-yl-4-(2-propoxyethyl)piperazine;bis(1-propan-2-yl-4-propylpiperazine) has a molecular weight of 2960.03 g/mol, XLogP of 25.01, 44 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-4-propan-2-ylpiperazine;N-(cyclobutylmethyl)propan-2-amine;N-(cyclopentylmethyl)propan-2-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;3-fluoro-1-propan-2-ylpyrrolidine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;3-methoxy-1-propan-2-ylpyrrolidine;bis(3-methyl-1-propan-2-ylpyrrolidine);3-(2-methylpropyl)pyrrolidine;1-methylsulfonyl-4-propan-2-ylpiperazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;8-propan-2-yl-5,8-diazaspiro[3.5]nonane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-propan-2-yl-4-(2-propoxyethyl)piperazine;bis(1-propan-2-yl-4-propylpiperazine) is sourced from PubChem (CID 162169781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).