2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclohexan-1-ol

C16H30N2O — CID 63009475

IUPAC2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclohexan-1-ol
SMILESOC1CCCCC1N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H30N2O/c19-16-6-2-1-5-15(16)18-11-7-14(8-12-18)13-17-9-3-4-10-17/h14-16,19H,1-13H2
InChIKeyVJSOSWLZKFCYBN-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.10
Rot. Bonds3

About 2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclohexan-1-ol

2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclohexan-1-ol (PubChem CID 63009475) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclohexan-1-ol
PubChem CID63009475
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclohexan-1-ol
SMILESOC1CCCCC1N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H30N2O/c19-16-6-2-1-5-15(16)18-11-7-14(8-12-18)13-17-9-3-4-10-17/h14-16,19H,1-13H2
InChIKeyVJSOSWLZKFCYBN-UHFFFAOYSA-N
XLogP2.10
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 63009019
cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol
CID 124555057
cis-(1R,2S)-2-(4-aminopiperidin-1-yl)cyclohexan-1-ol
CID 93346127
cis-(1S,2R)-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 93317277
2-(4-propylpiperidin-1-yl)cycloheptan-1-ol
CID 62205599
N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cycloheptan-1-amine
CID 62997233
trans-(1S,2S)-2-piperidin-1-ylcyclopentan-1-ol
CID 54511107
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]cyclohexan-1-ol
CID 55256824
N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-amine
CID 62997411
trans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol
CID 102734787

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclohexan-1-ol (CID 63009475) is 2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclohexan-1-ol is OC1CCCCC1N1CCC(CN2CCCC2)CC1.
What is the InChIKey of 2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is VJSOSWLZKFCYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c19-16-6-2-1-5-15(16)18-11-7-14(8-12-18)13-17-9-3-4-10-17/h14-16,19H,1-13H2.
What are the key properties of 2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclohexan-1-ol?
2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 266.43 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 63009475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).