1,1-dicyclohexyl-3-piperidin-1-ylpropan-1-ol

C20H37NO — CID 10267232

IUPAC1,1-dicyclohexyl-3-piperidin-1-ylpropan-1-ol
SMILESOC(CCN1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H37NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h18-19,22H,1-17H2
InChIKeyISVOLIVKHXFBKX-UHFFFAOYSA-N
MW307.52 g/mol
LogP4.75
Rot. Bonds5

About 1,1-dicyclohexyl-3-piperidin-1-ylpropan-1-ol

1,1-dicyclohexyl-3-piperidin-1-ylpropan-1-ol (PubChem CID 10267232) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is 1,1-dicyclohexyl-3-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1,1-dicyclohexyl-3-piperidin-1-ylpropan-1-ol
PubChem CID10267232
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name1,1-dicyclohexyl-3-piperidin-1-ylpropan-1-ol
SMILESOC(CCN1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H37NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h18-19,22H,1-17H2
InChIKeyISVOLIVKHXFBKX-UHFFFAOYSA-N
XLogP4.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.52
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidinol, 1-butyl-4-cyclohexyl-, hydrochloride
CID 115389
4-Cyclohexyl-1-methylpiperid-4-ol
CID 115390
Dicyclidol
CID 133970
1-(2-Piperidin-1-ylethyl)cyclohexan-1-ol
CID 14044370
(3-Quinuclidyl)dihexylcarbinol
CID 12298775
1-(3-((1-Cyclohexylcyclohexyl)oxy)propyl)piperidine hydrochloride
CID 3030460
2-Cyclohexyl-1-[(1-methylpiperidin-2-yl)methyl]cyclohexan-1-ol;hydrochloride
CID 54604897
3-Cyclohexyl-2-methyl-1-piperidin-1-ylpentan-3-ol
CID 10125346
2-(Azepan-1-ylmethyl)-1-cyclohexylcyclohexan-1-ol
CID 10149482
1-Cyclohexyl-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol
CID 10150436
1-(Cyclohexylmethyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol
CID 10194143
3-Cyclohexyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol
CID 10214772

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexyl-3-piperidin-1-ylpropan-1-ol?
The IUPAC name of 1,1-dicyclohexyl-3-piperidin-1-ylpropan-1-ol (CID 10267232) is 1,1-dicyclohexyl-3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 1,1-dicyclohexyl-3-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 1,1-dicyclohexyl-3-piperidin-1-ylpropan-1-ol is OC(CCN1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexyl-3-piperidin-1-ylpropan-1-ol?
The InChIKey is ISVOLIVKHXFBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h18-19,22H,1-17H2.
What are the key properties of 1,1-dicyclohexyl-3-piperidin-1-ylpropan-1-ol?
1,1-dicyclohexyl-3-piperidin-1-ylpropan-1-ol has a molecular weight of 307.52 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexyl-3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 10267232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).