4-(cyclohexylmethyl)-1-propan-2-ylpiperidine;3-methylbutan-1-ol

C20H41NO — CID 170952399

IUPAC4-(cyclohexylmethyl)-1-propan-2-ylpiperidine;3-methylbutan-1-ol
SMILESCC(C)CCO.CC(C)N1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C15H29N.C5H12O/c1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14;1-5(2)3-4-6/h13-15H,3-12H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyDHXVVKLEICZTGS-UHFFFAOYSA-N
MW311.55 g/mol
LogP5.10
Rot. Bonds5

About 4-(cyclohexylmethyl)-1-propan-2-ylpiperidine;3-methylbutan-1-ol

4-(cyclohexylmethyl)-1-propan-2-ylpiperidine;3-methylbutan-1-ol (PubChem CID 170952399) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-1-propan-2-ylpiperidine;3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-1-propan-2-ylpiperidine;3-methylbutan-1-ol
PubChem CID170952399
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name4-(cyclohexylmethyl)-1-propan-2-ylpiperidine;3-methylbutan-1-ol
SMILESCC(C)CCO.CC(C)N1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C15H29N.C5H12O/c1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14;1-5(2)3-4-6/h13-15H,3-12H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyDHXVVKLEICZTGS-UHFFFAOYSA-N
XLogP5.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-propan-2-ylazepan-4-yl)propan-1-ol
CID 146561520
1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane
CID 162072705
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 171094387
cyclopentadecylmethylcyclopentadecane
CID 91804599
5-propan-2-yl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 164782571
4-(1-propan-2-ylpiperidin-4-yl)but-2-yn-1-ol
CID 117265380
1-(cyclohexylmethyl)-4-methylpyrazole;3-methylbutan-1-ol
CID 155739466
3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine
CID 177228245
1-(4-chlorophenyl)-2-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-ol;hydrochloride
CID 140989276
4-(cyclobutylmethyl)-1-propan-2-ylpiperidine;ethane;1-methyl-3-azabicyclo[4.1.0]heptane
CID 176936173

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-1-propan-2-ylpiperidine;3-methylbutan-1-ol?
The IUPAC name of 4-(cyclohexylmethyl)-1-propan-2-ylpiperidine;3-methylbutan-1-ol (CID 170952399) is 4-(cyclohexylmethyl)-1-propan-2-ylpiperidine;3-methylbutan-1-ol.
What is the SMILES notation for 4-(cyclohexylmethyl)-1-propan-2-ylpiperidine;3-methylbutan-1-ol?
The canonical SMILES for 4-(cyclohexylmethyl)-1-propan-2-ylpiperidine;3-methylbutan-1-ol is CC(C)CCO.CC(C)N1CCC(CC2CCCCC2)CC1.
What is the InChIKey of 4-(cyclohexylmethyl)-1-propan-2-ylpiperidine;3-methylbutan-1-ol?
The InChIKey is DHXVVKLEICZTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N.C5H12O/c1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14;1-5(2)3-4-6/h13-15H,3-12H2,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of 4-(cyclohexylmethyl)-1-propan-2-ylpiperidine;3-methylbutan-1-ol?
4-(cyclohexylmethyl)-1-propan-2-ylpiperidine;3-methylbutan-1-ol has a molecular weight of 311.55 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-1-propan-2-ylpiperidine;3-methylbutan-1-ol is sourced from PubChem (CID 170952399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).