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

C18H34N2O — CID 106124969

IUPAC4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNC2CCCCC2C2CCCCN2)CC1
InChIInChI=1S/C18H34N2O/c21-15-10-8-14(9-11-15)13-20-18-6-2-1-5-16(18)17-7-3-4-12-19-17/h14-21H,1-13H2
InChIKeyMEVPZDPAYWKGLZ-UHFFFAOYSA-N
MW294.48 g/mol
LogP2.83
Rot. Bonds4

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

4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol (PubChem CID 106124969) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol
PubChem CID106124969
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNC2CCCCC2C2CCCCN2)CC1
InChIInChI=1S/C18H34N2O/c21-15-10-8-14(9-11-15)13-20-18-6-2-1-5-16(18)17-7-3-4-12-19-17/h14-21H,1-13H2
InChIKeyMEVPZDPAYWKGLZ-UHFFFAOYSA-N
XLogP2.83
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol (CID 106124969) is 4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol is OC1CCC(CNC2CCCCC2C2CCCCN2)CC1.
What is the InChIKey of 4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is MEVPZDPAYWKGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c21-15-10-8-14(9-11-15)13-20-18-6-2-1-5-16(18)17-7-3-4-12-19-17/h14-21H,1-13H2.
What are the key properties of 4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol?
4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 294.48 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106124969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).