butan-1-ol;1-cyclopropyl-4-methylpiperidine;1,3-dimethylazetidine;2,2-dimethylpentane;1,4-dimethylpiperidine;ethylbenzene;1-(2-fluoroethyl)-4-methylpiperidine;1-methoxybutane;1-methoxypropane;3-methylazetidine;2-methylbutan-2-ol;(4-methylcyclohexyl)methanol;methylsulfonylmethylbenzene;4-methyl-1-(2,2,2-trifluoroethyl)piperidine;(3R)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine;propan-1-ol

C101H200F7N7O8S — CID 158909011

About butan-1-ol;1-cyclopropyl-4-methylpiperidine;1,3-dimethylazetidine;2,2-dimethylpentane;1,4-dimethylpiperidine;ethylbenzene;1-(2-fluoroethyl)-4-methylpiperidine;1-methoxybutane;1-methoxypropane;3-methylazetidine;2-methylbutan-2-ol;(4-methylcyclohexyl)methanol;methylsulfonylmethylbenzene;4-methyl-1-(2,2,2-trifluoroethyl)piperidine;(3R)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine;propan-1-ol

butan-1-ol;1-cyclopropyl-4-methylpiperidine;1,3-dimethylazetidine;2,2-dimethylpentane;1,4-dimethylpiperidine;ethylbenzene;1-(2-fluoroethyl)-4-methylpiperidine;1-methoxybutane;1-methoxypropane;3-methylazetidine;2-methylbutan-2-ol;(4-methylcyclohexyl)methanol;methylsulfonylmethylbenzene;4-methyl-1-(2,2,2-trifluoroethyl)piperidine;(3R)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine;propan-1-ol (PubChem CID 158909011) has the molecular formula C101H200F7N7O8S and a molecular weight of 1805.80 g/mol. Its IUPAC name is butan-1-ol;1-cyclopropyl-4-methylpiperidine;1,3-dimethylazetidine;2,2-dimethylpentane;1,4-dimethylpiperidine;ethylbenzene;1-(2-fluoroethyl)-4-methylpiperidine;1-methoxybutane;1-methoxypropane;3-methylazetidine;2-methylbutan-2-ol;(4-methylcyclohexyl)methanol;methylsulfonylmethylbenzene;4-methyl-1-(2,2,2-trifluoroethyl)piperidine;(3R)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine;propan-1-ol.

Molecular Properties

• Compound Name: butan-1-ol;1-cyclopropyl-4-methylpiperidine;1,3-dimethylazetidine;2,2-dimethylpentane;1,4-dimethylpiperidine;ethylbenzene;1-(2-fluoroethyl)-4-methylpiperidine;1-methoxybutane;1-methoxypropane;3-methylazetidine;2-methylbutan-2-ol;(4-methylcyclohexyl)methanol;methylsulfonylmethylbenzene;4-methyl-1-(2,2,2-trifluoroethyl)piperidine;(3R)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine;propan-1-ol
• PubChem CID: 158909011
• Molecular Formula: C101H200F7N7O8S
• Molecular Weight: 1805.80 g/mol
• Exact Mass: 1804.51
• IUPAC Name: butan-1-ol;1-cyclopropyl-4-methylpiperidine;1,3-dimethylazetidine;2,2-dimethylpentane;1,4-dimethylpiperidine;ethylbenzene;1-(2-fluoroethyl)-4-methylpiperidine;1-methoxybutane;1-methoxypropane;3-methylazetidine;2-methylbutan-2-ol;(4-methylcyclohexyl)methanol;methylsulfonylmethylbenzene;4-methyl-1-(2,2,2-trifluoroethyl)piperidine;(3R)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine;propan-1-ol
• SMILES: CC1CCC(CO)CC1.CC1CCN(C)CC1.CC1CCN(C2CC2)CC1.CC1CCN(CC(F)(F)F)CC1.CC1CCN(CCF)CC1.CC1CN(C)C1.CC1CNC1.CCC(C)(C)O.CCCC(C)(C)C.CCCCO.CCCCOC.CCCO.CCCOC.CCc1ccccc1.CS(=O)(=O)Cc1ccccc1.C[C@@H]1CCN(CCC(F)(F)F)C1
• InChI: InChI=1S/C9H17N.2C8H14F3N.C8H16FN.C8H10O2S.C8H16O.C8H10.C7H15N.C7H16.C5H11N.2C5H12O.C4H9N.2C4H10O.C3H8O/c1-8-4-6-10(7-5-8)9-2-3-9;1-7-2-4-12(6-7)5-3-8(9,10)11;1-7-2-4-12(5-3-7)6-8(9,10)11;1-8-2-5-10(6-3-8)7-4-9;1-11(9,10)7-8-5-3-2-4-6-8;1-7-2-4-8(6-9)5-3-7;1-2-8-6-4-3-5-7-8;1-7-3-5-8(2)6-4-7;1-5-6-7(2,3)4;1-5-3-6(2)4-5;1-4-5(2,3)6;1-3-4-5-6-2;1-4-2-5-3-4;1-3-4-5-2;1-2-3-4-5;1-2-3-4/h8-9H,2-7H2,1H3;2*7H,2-6H2,1H3;8H,2-7H2,1H3;2-6H,7H2,1H3;7-9H,2-6H2,1H3;3-7H,2H2,1H3;7H,3-6H2,1-2H3;5-6H2,1-4H3;5H,3-4H2,1-2H3;6H,4H2,1-3H3;3-5H2,1-2H3;4-5H,2-3H2,1H3;3-4H2,1-2H3;5H,2-4H2,1H3;4H,2-3H2,1H3/t;7-;;;;;;;;;;;;;;/m.1............../s1
• InChIKey: JGKDROYOEDARMK-MRQMFGLQSA-N
• XLogP: 23.20
• TPSA: 164.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1805.80
LogP ≤ 5	23.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;1-cyclopropyl-4-methylpiperidine;1,3-dimethylazetidine;2,2-dimethylpentane;1,4-dimethylpiperidine;ethylbenzene;1-(2-fluoroethyl)-4-methylpiperidine;1-methoxybutane;1-methoxypropane;3-methylazetidine;2-methylbutan-2-ol;(4-methylcyclohexyl)methanol;methylsulfonylmethylbenzene;4-methyl-1-(2,2,2-trifluoroethyl)piperidine;(3R)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine;propan-1-ol?

The IUPAC name of butan-1-ol;1-cyclopropyl-4-methylpiperidine;1,3-dimethylazetidine;2,2-dimethylpentane;1,4-dimethylpiperidine;ethylbenzene;1-(2-fluoroethyl)-4-methylpiperidine;1-methoxybutane;1-methoxypropane;3-methylazetidine;2-methylbutan-2-ol;(4-methylcyclohexyl)methanol;methylsulfonylmethylbenzene;4-methyl-1-(2,2,2-trifluoroethyl)piperidine;(3R)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine;propan-1-ol (CID 158909011) is butan-1-ol;1-cyclopropyl-4-methylpiperidine;1,3-dimethylazetidine;2,2-dimethylpentane;1,4-dimethylpiperidine;ethylbenzene;1-(2-fluoroethyl)-4-methylpiperidine;1-methoxybutane;1-methoxypropane;3-methylazetidine;2-methylbutan-2-ol;(4-methylcyclohexyl)methanol;methylsulfonylmethylbenzene;4-methyl-1-(2,2,2-trifluoroethyl)piperidine;(3R)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine;propan-1-ol.

What is the SMILES notation for butan-1-ol;1-cyclopropyl-4-methylpiperidine;1,3-dimethylazetidine;2,2-dimethylpentane;1,4-dimethylpiperidine;ethylbenzene;1-(2-fluoroethyl)-4-methylpiperidine;1-methoxybutane;1-methoxypropane;3-methylazetidine;2-methylbutan-2-ol;(4-methylcyclohexyl)methanol;methylsulfonylmethylbenzene;4-methyl-1-(2,2,2-trifluoroethyl)piperidine;(3R)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine;propan-1-ol?

The canonical SMILES for butan-1-ol;1-cyclopropyl-4-methylpiperidine;1,3-dimethylazetidine;2,2-dimethylpentane;1,4-dimethylpiperidine;ethylbenzene;1-(2-fluoroethyl)-4-methylpiperidine;1-methoxybutane;1-methoxypropane;3-methylazetidine;2-methylbutan-2-ol;(4-methylcyclohexyl)methanol;methylsulfonylmethylbenzene;4-methyl-1-(2,2,2-trifluoroethyl)piperidine;(3R)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine;propan-1-ol is CC1CCC(CO)CC1.CC1CCN(C)CC1.CC1CCN(C2CC2)CC1.CC1CCN(CC(F)(F)F)CC1.CC1CCN(CCF)CC1.CC1CN(C)C1.CC1CNC1.CCC(C)(C)O.CCCC(C)(C)C.CCCCO.CCCCOC.CCCO.CCCOC.CCc1ccccc1.CS(=O)(=O)Cc1ccccc1.C[C@@H]1CCN(CCC(F)(F)F)C1.

What is the InChIKey of butan-1-ol;1-cyclopropyl-4-methylpiperidine;1,3-dimethylazetidine;2,2-dimethylpentane;1,4-dimethylpiperidine;ethylbenzene;1-(2-fluoroethyl)-4-methylpiperidine;1-methoxybutane;1-methoxypropane;3-methylazetidine;2-methylbutan-2-ol;(4-methylcyclohexyl)methanol;methylsulfonylmethylbenzene;4-methyl-1-(2,2,2-trifluoroethyl)piperidine;(3R)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine;propan-1-ol?

The InChIKey is JGKDROYOEDARMK-MRQMFGLQSA-N. The full InChI is InChI=1S/C9H17N.2C8H14F3N.C8H16FN.C8H10O2S.C8H16O.C8H10.C7H15N.C7H16.C5H11N.2C5H12O.C4H9N.2C4H10O.C3H8O/c1-8-4-6-10(7-5-8)9-2-3-9;1-7-2-4-12(6-7)5-3-8(9,10)11;1-7-2-4-12(5-3-7)6-8(9,10)11;1-8-2-5-10(6-3-8)7-4-9;1-11(9,10)7-8-5-3-2-4-6-8;1-7-2-4-8(6-9)5-3-7;1-2-8-6-4-3-5-7-8;1-7-3-5-8(2)6-4-7;1-5-6-7(2,3)4;1-5-3-6(2)4-5;1-4-5(2,3)6;1-3-4-5-6-2;1-4-2-5-3-4;1-3-4-5-2;1-2-3-4-5;1-2-3-4/h8-9H,2-7H2,1H3;2*7H,2-6H2,1H3;8H,2-7H2,1H3;2-6H,7H2,1H3;7-9H,2-6H2,1H3;3-7H,2H2,1H3;7H,3-6H2,1-2H3;5-6H2,1-4H3;5H,3-4H2,1-2H3;6H,4H2,1-3H3;3-5H2,1-2H3;4-5H,2-3H2,1H3;3-4H2,1-2H3;5H,2-4H2,1H3;4H,2-3H2,1H3/t;7-;;;;;;;;;;;;;;/m.1............../s1.

What are the key properties of butan-1-ol;1-cyclopropyl-4-methylpiperidine;1,3-dimethylazetidine;2,2-dimethylpentane;1,4-dimethylpiperidine;ethylbenzene;1-(2-fluoroethyl)-4-methylpiperidine;1-methoxybutane;1-methoxypropane;3-methylazetidine;2-methylbutan-2-ol;(4-methylcyclohexyl)methanol;methylsulfonylmethylbenzene;4-methyl-1-(2,2,2-trifluoroethyl)piperidine;(3R)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine;propan-1-ol?

butan-1-ol;1-cyclopropyl-4-methylpiperidine;1,3-dimethylazetidine;2,2-dimethylpentane;1,4-dimethylpiperidine;ethylbenzene;1-(2-fluoroethyl)-4-methylpiperidine;1-methoxybutane;1-methoxypropane;3-methylazetidine;2-methylbutan-2-ol;(4-methylcyclohexyl)methanol;methylsulfonylmethylbenzene;4-methyl-1-(2,2,2-trifluoroethyl)piperidine;(3R)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine;propan-1-ol has a molecular weight of 1805.80 g/mol, XLogP of 23.20, 20 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for butan-1-ol;1-cyclopropyl-4-methylpiperidine;1,3-dimethylazetidine;2,2-dimethylpentane;1,4-dimethylpiperidine;ethylbenzene;1-(2-fluoroethyl)-4-methylpiperidine;1-methoxybutane;1-methoxypropane;3-methylazetidine;2-methylbutan-2-ol;(4-methylcyclohexyl)methanol;methylsulfonylmethylbenzene;4-methyl-1-(2,2,2-trifluoroethyl)piperidine;(3R)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine;propan-1-ol is sourced from PubChem (CID 158909011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).