1-cyclohexyl-2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol

C18H33NO — CID 10308249

IUPAC1-cyclohexyl-2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol
SMILESOC1(C2CCCCC2)CCCCCC1CN1CCCC1
InChIInChI=1S/C18H33NO/c20-18(16-9-3-1-4-10-16)12-6-2-5-11-17(18)15-19-13-7-8-14-19/h16-17,20H,1-15H2
InChIKeyZVGJCJPMJWBVJL-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.97
Rot. Bonds3

About 1-cyclohexyl-2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol

1-cyclohexyl-2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol (PubChem CID 10308249) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-cyclohexyl-2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol
PubChem CID10308249
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1-cyclohexyl-2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol
SMILESOC1(C2CCCCC2)CCCCCC1CN1CCCC1
InChIInChI=1S/C18H33NO/c20-18(16-9-3-1-4-10-16)12-6-2-5-11-17(18)15-19-13-7-8-14-19/h16-17,20H,1-15H2
InChIKeyZVGJCJPMJWBVJL-UHFFFAOYSA-N
XLogP3.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(2-Pyrrolidin-1-ylethyl)cyclohexan-1-ol
CID 14044369
1-Cyclopentyl-2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol
CID 10125341
2-(Azepan-1-ylmethyl)-1-cyclopentylcycloheptan-1-ol
CID 10193045
1-Cyclopentyl-2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol
CID 10193446
2-(Azepan-1-ylmethyl)-1-(cyclohexylmethyl)cyclopentan-1-ol
CID 10214864
1-Cyclohexyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol
CID 10237150
1-Cyclohexyl-2-(pyrrolidin-1-ylmethyl)cyclopentan-1-ol
CID 10286001
1-(Cyclohexylmethyl)-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 10286140
2-(Azepan-1-ylmethyl)-1-cyclopentylcyclohexan-1-ol
CID 10308250
1-Cyclopentyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol
CID 10308929
8-Tert-butyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 58959487
8-Ethyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 67587397

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol?
The IUPAC name of 1-cyclohexyl-2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol (CID 10308249) is 1-cyclohexyl-2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol.
What is the SMILES notation for 1-cyclohexyl-2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol?
The canonical SMILES for 1-cyclohexyl-2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol is OC1(C2CCCCC2)CCCCCC1CN1CCCC1.
What is the InChIKey of 1-cyclohexyl-2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol?
The InChIKey is ZVGJCJPMJWBVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c20-18(16-9-3-1-4-10-16)12-6-2-5-11-17(18)15-19-13-7-8-14-19/h16-17,20H,1-15H2.
What are the key properties of 1-cyclohexyl-2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol?
1-cyclohexyl-2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol has a molecular weight of 279.47 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol is sourced from PubChem (CID 10308249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).