4-[(piperidin-2-ylmethylamino)methyl]cyclohexan-1-ol

C13H26N2O — CID 19846016

IUPAC4-[(piperidin-2-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCC2CCCCN2)CC1
InChIInChI=1S/C13H26N2O/c16-13-6-4-11(5-7-13)9-14-10-12-3-1-2-8-15-12/h11-16H,1-10H2
InChIKeyMNHQHUAYQQRWKU-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.27
Rot. Bonds4

About 4-[(piperidin-2-ylmethylamino)methyl]cyclohexan-1-ol

4-[(piperidin-2-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 19846016) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-[(piperidin-2-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(piperidin-2-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID19846016
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-[(piperidin-2-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCC2CCCCN2)CC1
InChIInChI=1S/C13H26N2O/c16-13-6-4-11(5-7-13)9-14-10-12-3-1-2-8-15-12/h11-16H,1-10H2
InChIKeyMNHQHUAYQQRWKU-UHFFFAOYSA-N
XLogP1.27
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(piperidin-2-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(piperidin-2-ylmethylamino)methyl]cyclohexan-1-ol (CID 19846016) is 4-[(piperidin-2-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(piperidin-2-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(piperidin-2-ylmethylamino)methyl]cyclohexan-1-ol is OC1CCC(CNCC2CCCCN2)CC1.
What is the InChIKey of 4-[(piperidin-2-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is MNHQHUAYQQRWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c16-13-6-4-11(5-7-13)9-14-10-12-3-1-2-8-15-12/h11-16H,1-10H2.
What are the key properties of 4-[(piperidin-2-ylmethylamino)methyl]cyclohexan-1-ol?
4-[(piperidin-2-ylmethylamino)methyl]cyclohexan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(piperidin-2-ylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 19846016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).