[1-[(3-chlorophenyl)methyl]-2-methylpiperidin-2-yl]methanol

C14H20ClNO — CID 102554152

IUPAC[1-[(3-chlorophenyl)methyl]-2-methylpiperidin-2-yl]methanol
SMILESCC1(CO)CCCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-14(11-17)7-2-3-8-16(14)10-12-5-4-6-13(15)9-12/h4-6,9,17H,2-3,7-8,10-11H2,1H3
InChIKeyITIDMRAORKYCAE-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.08
Rot. Bonds3

About [1-[(3-chlorophenyl)methyl]-2-methylpiperidin-2-yl]methanol

[1-[(3-chlorophenyl)methyl]-2-methylpiperidin-2-yl]methanol (PubChem CID 102554152) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is [1-[(3-chlorophenyl)methyl]-2-methylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3-chlorophenyl)methyl]-2-methylpiperidin-2-yl]methanol
PubChem CID102554152
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name[1-[(3-chlorophenyl)methyl]-2-methylpiperidin-2-yl]methanol
SMILESCC1(CO)CCCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-14(11-17)7-2-3-8-16(14)10-12-5-4-6-13(15)9-12/h4-6,9,17H,2-3,7-8,10-11H2,1H3
InChIKeyITIDMRAORKYCAE-UHFFFAOYSA-N
XLogP3.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-chlorophenyl)methyl]-2-methylpiperidin-2-yl]methanol?
The IUPAC name of [1-[(3-chlorophenyl)methyl]-2-methylpiperidin-2-yl]methanol (CID 102554152) is [1-[(3-chlorophenyl)methyl]-2-methylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-[(3-chlorophenyl)methyl]-2-methylpiperidin-2-yl]methanol?
The canonical SMILES for [1-[(3-chlorophenyl)methyl]-2-methylpiperidin-2-yl]methanol is CC1(CO)CCCCN1Cc1cccc(Cl)c1.
What is the InChIKey of [1-[(3-chlorophenyl)methyl]-2-methylpiperidin-2-yl]methanol?
The InChIKey is ITIDMRAORKYCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-14(11-17)7-2-3-8-16(14)10-12-5-4-6-13(15)9-12/h4-6,9,17H,2-3,7-8,10-11H2,1H3.
What are the key properties of [1-[(3-chlorophenyl)methyl]-2-methylpiperidin-2-yl]methanol?
[1-[(3-chlorophenyl)methyl]-2-methylpiperidin-2-yl]methanol has a molecular weight of 253.77 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chlorophenyl)methyl]-2-methylpiperidin-2-yl]methanol is sourced from PubChem (CID 102554152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).