tert-butyl 4-[butyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-(3-methoxypropyl)piperidine-1-carboxylate;N-butyl-N-methyl-1-methylsulfonylpiperidin-4-amine;N-butyl-N-methylpiperidin-4-amine;N-(cyclohexylmethyl)-N-methylbutan-1-amine;4-ethylmorpholine;N-(2-methoxyethyl)-N-methylcyclohexanamine;1-methylsulfonyl-4-pentylpiperidine;4-pentyloxane;1-(4-pentylpiperidin-1-yl)ethanone;4-propylmorpholine;1-propylpyrrolidine

C125H258N14O14S2 — CID 162245232

IUPACtert-butyl 4-[butyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-(3-methoxypropyl)piperidine-1-carboxylate;N-butyl-N-methyl-1-methylsulfonylpiperidin-4-amine;N-butyl-N-methylpiperidin-4-amine;N-(cyclohexylmethyl)-N-methylbutan-1-amine;4-ethylmorpholine;N-(2-methoxyethyl)-N-methylcyclohexanamine;1-methylsulfonyl-4-pentylpiperidine;4-pentyloxane;1-(4-pentylpiperidin-1-yl)ethanone;4-propylmorpholine;1-propylpyrrolidine
SMILESCCCCCC1CCN(C(C)=O)CC1.CCCCCC1CCN(S(C)(=O)=O)CC1.CCCCCC1CCOCC1.CCCCN(C)C1CCN(C(=O)OC(C)(C)C)CC1.CCCCN(C)C1CCN(S(C)(=O)=O)CC1.CCCCN(C)C1CCNCC1.CCCCN(C)CC1CCCCC1.CCCN1CCCC1.CCCN1CCOCC1.CCN1CCOCC1.COCCCC1CCN(C(=O)OC(C)(C)C)CC1.COCCN(C)C1CCCCC1
InChIInChI=1S/C15H30N2O2.C14H27NO3.C12H23NO.C12H25N.C11H24N2O2S.C11H23NO2S.C10H22N2.C10H21NO.C10H20O.C7H15NO.C7H15N.C6H13NO/c1-6-7-10-16(5)13-8-11-17(12-9-13)14(18)19-15(2,3)4;1-14(2,3)18-13(16)15-9-7-12(8-10-15)6-5-11-17-4;1-3-4-5-6-12-7-9-13(10-8-12)11(2)14;1-3-4-10-13(2)11-12-8-6-5-7-9-12;1-4-5-8-12(2)11-6-9-13(10-7-11)16(3,14)15;1-3-4-5-6-11-7-9-12(10-8-11)15(2,13)14;1-3-4-9-12(2)10-5-7-11-8-6-10;1-11(8-9-12-2)10-6-4-3-5-7-10;1-2-3-4-5-10-6-8-11-9-7-10;1-2-3-8-4-6-9-7-5-8;1-2-5-8-6-3-4-7-8;1-2-7-3-5-8-6-4-7/h13H,6-12H2,1-5H3;12H,5-11H2,1-4H3;12H,3-10H2,1-2H3;12H,3-11H2,1-2H3;11H,4-10H2,1-3H3;11H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;10H,3-9H2,1-2H3;10H,2-9H2,1H3;2-7H2,1H3;2-7H2,1H3;2-6H2,1H3
InChIKeyZXGAIKREXRMQEM-UHFFFAOYSA-N
MW2245.66 g/mol
LogP24.60
Rot. Bonds44

About tert-butyl 4-[butyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-(3-methoxypropyl)piperidine-1-carboxylate;N-butyl-N-methyl-1-methylsulfonylpiperidin-4-amine;N-butyl-N-methylpiperidin-4-amine;N-(cyclohexylmethyl)-N-methylbutan-1-amine;4-ethylmorpholine;N-(2-methoxyethyl)-N-methylcyclohexanamine;1-methylsulfonyl-4-pentylpiperidine;4-pentyloxane;1-(4-pentylpiperidin-1-yl)ethanone;4-propylmorpholine;1-propylpyrrolidine

tert-butyl 4-[butyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-(3-methoxypropyl)piperidine-1-carboxylate;N-butyl-N-methyl-1-methylsulfonylpiperidin-4-amine;N-butyl-N-methylpiperidin-4-amine;N-(cyclohexylmethyl)-N-methylbutan-1-amine;4-ethylmorpholine;N-(2-methoxyethyl)-N-methylcyclohexanamine;1-methylsulfonyl-4-pentylpiperidine;4-pentyloxane;1-(4-pentylpiperidin-1-yl)ethanone;4-propylmorpholine;1-propylpyrrolidine (PubChem CID 162245232) has the molecular formula C125H258N14O14S2 and a molecular weight of 2245.66 g/mol. Its IUPAC name is tert-butyl 4-[butyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-(3-methoxypropyl)piperidine-1-carboxylate;N-butyl-N-methyl-1-methylsulfonylpiperidin-4-amine;N-butyl-N-methylpiperidin-4-amine;N-(cyclohexylmethyl)-N-methylbutan-1-amine;4-ethylmorpholine;N-(2-methoxyethyl)-N-methylcyclohexanamine;1-methylsulfonyl-4-pentylpiperidine;4-pentyloxane;1-(4-pentylpiperidin-1-yl)ethanone;4-propylmorpholine;1-propylpyrrolidine.

Molecular Properties

Compound Nametert-butyl 4-[butyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-(3-methoxypropyl)piperidine-1-carboxylate;N-butyl-N-methyl-1-methylsulfonylpiperidin-4-amine;N-butyl-N-methylpiperidin-4-amine;N-(cyclohexylmethyl)-N-methylbutan-1-amine;4-ethylmorpholine;N-(2-methoxyethyl)-N-methylcyclohexanamine;1-methylsulfonyl-4-pentylpiperidine;4-pentyloxane;1-(4-pentylpiperidin-1-yl)ethanone;4-propylmorpholine;1-propylpyrrolidine
PubChem CID162245232
Molecular FormulaC125H258N14O14S2
Molecular Weight2245.66 g/mol
Exact Mass2243.93
IUPAC Nametert-butyl 4-[butyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-(3-methoxypropyl)piperidine-1-carboxylate;N-butyl-N-methyl-1-methylsulfonylpiperidin-4-amine;N-butyl-N-methylpiperidin-4-amine;N-(cyclohexylmethyl)-N-methylbutan-1-amine;4-ethylmorpholine;N-(2-methoxyethyl)-N-methylcyclohexanamine;1-methylsulfonyl-4-pentylpiperidine;4-pentyloxane;1-(4-pentylpiperidin-1-yl)ethanone;4-propylmorpholine;1-propylpyrrolidine
SMILESCCCCCC1CCN(C(C)=O)CC1.CCCCCC1CCN(S(C)(=O)=O)CC1.CCCCCC1CCOCC1.CCCCN(C)C1CCN(C(=O)OC(C)(C)C)CC1.CCCCN(C)C1CCN(S(C)(=O)=O)CC1.CCCCN(C)C1CCNCC1.CCCCN(C)CC1CCCCC1.CCCN1CCCC1.CCCN1CCOCC1.CCN1CCOCC1.COCCCC1CCN(C(=O)OC(C)(C)C)CC1.COCCN(C)C1CCCCC1
InChIInChI=1S/C15H30N2O2.C14H27NO3.C12H23NO.C12H25N.C11H24N2O2S.C11H23NO2S.C10H22N2.C10H21NO.C10H20O.C7H15NO.C7H15N.C6H13NO/c1-6-7-10-16(5)13-8-11-17(12-9-13)14(18)19-15(2,3)4;1-14(2,3)18-13(16)15-9-7-12(8-10-15)6-5-11-17-4;1-3-4-5-6-12-7-9-13(10-8-12)11(2)14;1-3-4-10-13(2)11-12-8-6-5-7-9-12;1-4-5-8-12(2)11-6-9-13(10-7-11)16(3,14)15;1-3-4-5-6-11-7-9-12(10-8-11)15(2,13)14;1-3-4-9-12(2)10-5-7-11-8-6-10;1-11(8-9-12-2)10-6-4-3-5-7-10;1-2-3-4-5-10-6-8-11-9-7-10;1-2-3-8-4-6-9-7-5-8;1-2-5-8-6-3-4-7-8;1-2-7-3-5-8-6-4-7/h13H,6-12H2,1-5H3;12H,5-11H2,1-4H3;12H,3-10H2,1-2H3;12H,3-11H2,1-2H3;11H,4-10H2,1-3H3;11H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;10H,3-9H2,1-2H3;10H,2-9H2,1H3;2-7H2,1H3;2-7H2,1H3;2-6H2,1H3
InChIKeyZXGAIKREXRMQEM-UHFFFAOYSA-N
XLogP24.60
TPSA238.25 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds44
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002245.66
LogP ≤ 524.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[butyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-(3-methoxypropyl)piperidine-1-carboxylate;N-butyl-N-methyl-1-methylsulfonylpiperidin-4-amine;N-butyl-N-methylpiperidin-4-amine;N-(cyclohexylmethyl)-N-methylbutan-1-amine;4-ethylmorpholine;N-(2-methoxyethyl)-N-methylcyclohexanamine;1-methylsulfonyl-4-pentylpiperidine;4-pentyloxane;1-(4-pentylpiperidin-1-yl)ethanone;4-propylmorpholine;1-propylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-1-methylpiperidin-4-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-methylsulfonylpiperazine;bis(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2-methylpropan-2-yl)oxymethylcyclohexane;4-[(2-methylpropan-2-yl)oxymethyl]-1-methylsulfonylpiperidine;1-[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanone
CID 157256577
tert-butyl 4-[butyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-(3-methoxypropyl)piperidine-1-carboxylate;N-butyl-N-methyl-1-methylsulfonylpiperidin-4-amine;N-butyl-N-methyloxan-4-amine;N-butyl-N-methylpiperidin-4-amine;tert-butyl 4-pentylpiperidine-1-carboxylate;N-(cyclohexylmethyl)-N-methylbutan-1-amine;4-ethylmorpholine;N-(2-methoxyethyl)-N,1-dimethylpiperidin-4-amine;N-(2-methoxyethyl)-N-methylcyclohexanamine;1-methylsulfonyl-4-pentylpiperidine;pentylcyclohexane;4-pentyloxane;4-propylmorpholine;1-propylpyrrolidine
CID 157932227

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[butyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-(3-methoxypropyl)piperidine-1-carboxylate;N-butyl-N-methyl-1-methylsulfonylpiperidin-4-amine;N-butyl-N-methylpiperidin-4-amine;N-(cyclohexylmethyl)-N-methylbutan-1-amine;4-ethylmorpholine;N-(2-methoxyethyl)-N-methylcyclohexanamine;1-methylsulfonyl-4-pentylpiperidine;4-pentyloxane;1-(4-pentylpiperidin-1-yl)ethanone;4-propylmorpholine;1-propylpyrrolidine?
The IUPAC name of tert-butyl 4-[butyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-(3-methoxypropyl)piperidine-1-carboxylate;N-butyl-N-methyl-1-methylsulfonylpiperidin-4-amine;N-butyl-N-methylpiperidin-4-amine;N-(cyclohexylmethyl)-N-methylbutan-1-amine;4-ethylmorpholine;N-(2-methoxyethyl)-N-methylcyclohexanamine;1-methylsulfonyl-4-pentylpiperidine;4-pentyloxane;1-(4-pentylpiperidin-1-yl)ethanone;4-propylmorpholine;1-propylpyrrolidine (CID 162245232) is tert-butyl 4-[butyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-(3-methoxypropyl)piperidine-1-carboxylate;N-butyl-N-methyl-1-methylsulfonylpiperidin-4-amine;N-butyl-N-methylpiperidin-4-amine;N-(cyclohexylmethyl)-N-methylbutan-1-amine;4-ethylmorpholine;N-(2-methoxyethyl)-N-methylcyclohexanamine;1-methylsulfonyl-4-pentylpiperidine;4-pentyloxane;1-(4-pentylpiperidin-1-yl)ethanone;4-propylmorpholine;1-propylpyrrolidine.
What is the SMILES notation for tert-butyl 4-[butyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-(3-methoxypropyl)piperidine-1-carboxylate;N-butyl-N-methyl-1-methylsulfonylpiperidin-4-amine;N-butyl-N-methylpiperidin-4-amine;N-(cyclohexylmethyl)-N-methylbutan-1-amine;4-ethylmorpholine;N-(2-methoxyethyl)-N-methylcyclohexanamine;1-methylsulfonyl-4-pentylpiperidine;4-pentyloxane;1-(4-pentylpiperidin-1-yl)ethanone;4-propylmorpholine;1-propylpyrrolidine?
The canonical SMILES for tert-butyl 4-[butyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-(3-methoxypropyl)piperidine-1-carboxylate;N-butyl-N-methyl-1-methylsulfonylpiperidin-4-amine;N-butyl-N-methylpiperidin-4-amine;N-(cyclohexylmethyl)-N-methylbutan-1-amine;4-ethylmorpholine;N-(2-methoxyethyl)-N-methylcyclohexanamine;1-methylsulfonyl-4-pentylpiperidine;4-pentyloxane;1-(4-pentylpiperidin-1-yl)ethanone;4-propylmorpholine;1-propylpyrrolidine is CCCCCC1CCN(C(C)=O)CC1.CCCCCC1CCN(S(C)(=O)=O)CC1.CCCCCC1CCOCC1.CCCCN(C)C1CCN(C(=O)OC(C)(C)C)CC1.CCCCN(C)C1CCN(S(C)(=O)=O)CC1.CCCCN(C)C1CCNCC1.CCCCN(C)CC1CCCCC1.CCCN1CCCC1.CCCN1CCOCC1.CCN1CCOCC1.COCCCC1CCN(C(=O)OC(C)(C)C)CC1.COCCN(C)C1CCCCC1.
What is the InChIKey of tert-butyl 4-[butyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-(3-methoxypropyl)piperidine-1-carboxylate;N-butyl-N-methyl-1-methylsulfonylpiperidin-4-amine;N-butyl-N-methylpiperidin-4-amine;N-(cyclohexylmethyl)-N-methylbutan-1-amine;4-ethylmorpholine;N-(2-methoxyethyl)-N-methylcyclohexanamine;1-methylsulfonyl-4-pentylpiperidine;4-pentyloxane;1-(4-pentylpiperidin-1-yl)ethanone;4-propylmorpholine;1-propylpyrrolidine?
The InChIKey is ZXGAIKREXRMQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.C14H27NO3.C12H23NO.C12H25N.C11H24N2O2S.C11H23NO2S.C10H22N2.C10H21NO.C10H20O.C7H15NO.C7H15N.C6H13NO/c1-6-7-10-16(5)13-8-11-17(12-9-13)14(18)19-15(2,3)4;1-14(2,3)18-13(16)15-9-7-12(8-10-15)6-5-11-17-4;1-3-4-5-6-12-7-9-13(10-8-12)11(2)14;1-3-4-10-13(2)11-12-8-6-5-7-9-12;1-4-5-8-12(2)11-6-9-13(10-7-11)16(3,14)15;1-3-4-5-6-11-7-9-12(10-8-11)15(2,13)14;1-3-4-9-12(2)10-5-7-11-8-6-10;1-11(8-9-12-2)10-6-4-3-5-7-10;1-2-3-4-5-10-6-8-11-9-7-10;1-2-3-8-4-6-9-7-5-8;1-2-5-8-6-3-4-7-8;1-2-7-3-5-8-6-4-7/h13H,6-12H2,1-5H3;12H,5-11H2,1-4H3;12H,3-10H2,1-2H3;12H,3-11H2,1-2H3;11H,4-10H2,1-3H3;11H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;10H,3-9H2,1-2H3;10H,2-9H2,1H3;2-7H2,1H3;2-7H2,1H3;2-6H2,1H3.
What are the key properties of tert-butyl 4-[butyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-(3-methoxypropyl)piperidine-1-carboxylate;N-butyl-N-methyl-1-methylsulfonylpiperidin-4-amine;N-butyl-N-methylpiperidin-4-amine;N-(cyclohexylmethyl)-N-methylbutan-1-amine;4-ethylmorpholine;N-(2-methoxyethyl)-N-methylcyclohexanamine;1-methylsulfonyl-4-pentylpiperidine;4-pentyloxane;1-(4-pentylpiperidin-1-yl)ethanone;4-propylmorpholine;1-propylpyrrolidine?
tert-butyl 4-[butyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-(3-methoxypropyl)piperidine-1-carboxylate;N-butyl-N-methyl-1-methylsulfonylpiperidin-4-amine;N-butyl-N-methylpiperidin-4-amine;N-(cyclohexylmethyl)-N-methylbutan-1-amine;4-ethylmorpholine;N-(2-methoxyethyl)-N-methylcyclohexanamine;1-methylsulfonyl-4-pentylpiperidine;4-pentyloxane;1-(4-pentylpiperidin-1-yl)ethanone;4-propylmorpholine;1-propylpyrrolidine has a molecular weight of 2245.66 g/mol, XLogP of 24.60, 44 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[butyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-(3-methoxypropyl)piperidine-1-carboxylate;N-butyl-N-methyl-1-methylsulfonylpiperidin-4-amine;N-butyl-N-methylpiperidin-4-amine;N-(cyclohexylmethyl)-N-methylbutan-1-amine;4-ethylmorpholine;N-(2-methoxyethyl)-N-methylcyclohexanamine;1-methylsulfonyl-4-pentylpiperidine;4-pentyloxane;1-(4-pentylpiperidin-1-yl)ethanone;4-propylmorpholine;1-propylpyrrolidine is sourced from PubChem (CID 162245232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).