1-(cyclohexylmethyl)-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol

C18H33NO — CID 10286140

IUPAC1-(cyclohexylmethyl)-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
SMILESOC1(CC2CCCCC2)CCCCC1CN1CCCC1
InChIInChI=1S/C18H33NO/c20-18(14-16-8-2-1-3-9-16)11-5-4-10-17(18)15-19-12-6-7-13-19/h16-17,20H,1-15H2
InChIKeyMPKFGEIGLDIIQS-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.97
Rot. Bonds4

About 1-(cyclohexylmethyl)-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol

1-(cyclohexylmethyl)-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol (PubChem CID 10286140) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
PubChem CID10286140
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1-(cyclohexylmethyl)-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
SMILESOC1(CC2CCCCC2)CCCCC1CN1CCCC1
InChIInChI=1S/C18H33NO/c20-18(14-16-8-2-1-3-9-16)11-5-4-10-17(18)15-19-12-6-7-13-19/h16-17,20H,1-15H2
InChIKeyMPKFGEIGLDIIQS-UHFFFAOYSA-N
XLogP3.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-Dicyclohexyl-3-piperidin-1-ylpropan-1-ol
CID 10267232
3-Cyclohexyl-2-methyl-1-piperidin-1-ylpentan-3-ol
CID 10125346
2-(Azepan-1-ylmethyl)-1-cyclohexylcyclohexan-1-ol
CID 10149482
1-Cyclopentyl-2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol
CID 10193446
1-Cyclohexyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol
CID 10237150
1-Cyclohexyl-2-(pyrrolidin-1-ylmethyl)cyclopentan-1-ol
CID 10286001
1-Cyclohexyl-2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol
CID 10308249
2-(Azepan-1-ylmethyl)-1-cyclopentylcyclohexan-1-ol
CID 10308250
2-Cyclohexyl-1-(3-piperidin-1-ylpropyl)cyclohexan-1-ol
CID 160765005
trans-(1R,2S)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol;trans-(1S,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
CID 160940827
cis-(1S,2S)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol;cis-(1R,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
CID 160940828
2-Cyclohexyl-1-[(1-methylpiperidin-2-yl)methyl]cyclohexan-1-ol
CID 409685

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 1-(cyclohexylmethyl)-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol (CID 10286140) is 1-(cyclohexylmethyl)-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(cyclohexylmethyl)-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol is OC1(CC2CCCCC2)CCCCC1CN1CCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol?
The InChIKey is MPKFGEIGLDIIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c20-18(14-16-8-2-1-3-9-16)11-5-4-10-17(18)15-19-12-6-7-13-19/h16-17,20H,1-15H2.
What are the key properties of 1-(cyclohexylmethyl)-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol?
1-(cyclohexylmethyl)-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol has a molecular weight of 279.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 10286140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).