[4-[cycloheptyl(methyl)amino]-2-pyridinyl]methanol

C14H22N2O — CID 61255198

IUPAC[4-[cycloheptyl(methyl)amino]-2-pyridinyl]methanol
SMILESCN(c1ccnc(CO)c1)C1CCCCCC1
InChIInChI=1S/C14H22N2O/c1-16(13-6-4-2-3-5-7-13)14-8-9-15-12(10-14)11-17/h8-10,13,17H,2-7,11H2,1H3
InChIKeyXRCMOOBXWLPTLR-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.73
Rot. Bonds3

About [4-[cycloheptyl(methyl)amino]-2-pyridinyl]methanol

[4-[cycloheptyl(methyl)amino]-2-pyridinyl]methanol (PubChem CID 61255198) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [4-[cycloheptyl(methyl)amino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[cycloheptyl(methyl)amino]-2-pyridinyl]methanol
PubChem CID61255198
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[4-[cycloheptyl(methyl)amino]-2-pyridinyl]methanol
SMILESCN(c1ccnc(CO)c1)C1CCCCCC1
InChIInChI=1S/C14H22N2O/c1-16(13-6-4-2-3-5-7-13)14-8-9-15-12(10-14)11-17/h8-10,13,17H,2-7,11H2,1H3
InChIKeyXRCMOOBXWLPTLR-UHFFFAOYSA-N
XLogP2.73
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[cycloheptyl(methyl)amino]-2-pyridinyl]methanol?
The IUPAC name of [4-[cycloheptyl(methyl)amino]-2-pyridinyl]methanol (CID 61255198) is [4-[cycloheptyl(methyl)amino]-2-pyridinyl]methanol.
What is the SMILES notation for [4-[cycloheptyl(methyl)amino]-2-pyridinyl]methanol?
The canonical SMILES for [4-[cycloheptyl(methyl)amino]-2-pyridinyl]methanol is CN(c1ccnc(CO)c1)C1CCCCCC1.
What is the InChIKey of [4-[cycloheptyl(methyl)amino]-2-pyridinyl]methanol?
The InChIKey is XRCMOOBXWLPTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(13-6-4-2-3-5-7-13)14-8-9-15-12(10-14)11-17/h8-10,13,17H,2-7,11H2,1H3.
What are the key properties of [4-[cycloheptyl(methyl)amino]-2-pyridinyl]methanol?
[4-[cycloheptyl(methyl)amino]-2-pyridinyl]methanol has a molecular weight of 234.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cycloheptyl(methyl)amino]-2-pyridinyl]methanol is sourced from PubChem (CID 61255198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).