[1-(3-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-yl]methanol

C15H22ClNO — CID 117019807

IUPAC[1-(3-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-yl]methanol
SMILESCc1c(Cl)cccc1N1CCCC(CO)C1(C)C
InChIInChI=1S/C15H22ClNO/c1-11-13(16)7-4-8-14(11)17-9-5-6-12(10-18)15(17,2)3/h4,7-8,12,18H,5-6,9-10H2,1-3H3
InChIKeyGPGDRKBZENVMTJ-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.64
Rot. Bonds2

About [1-(3-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-yl]methanol

[1-(3-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-yl]methanol (PubChem CID 117019807) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is [1-(3-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-yl]methanol
PubChem CID117019807
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name[1-(3-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-yl]methanol
SMILESCc1c(Cl)cccc1N1CCCC(CO)C1(C)C
InChIInChI=1S/C15H22ClNO/c1-11-13(16)7-4-8-14(11)17-9-5-6-12(10-18)15(17,2)3/h4,7-8,12,18H,5-6,9-10H2,1-3H3
InChIKeyGPGDRKBZENVMTJ-UHFFFAOYSA-N
XLogP3.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-yl]methanol?
The IUPAC name of [1-(3-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-yl]methanol (CID 117019807) is [1-(3-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(3-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(3-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-yl]methanol is Cc1c(Cl)cccc1N1CCCC(CO)C1(C)C.
What is the InChIKey of [1-(3-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-yl]methanol?
The InChIKey is GPGDRKBZENVMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11-13(16)7-4-8-14(11)17-9-5-6-12(10-18)15(17,2)3/h4,7-8,12,18H,5-6,9-10H2,1-3H3.
What are the key properties of [1-(3-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-yl]methanol?
[1-(3-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-yl]methanol has a molecular weight of 267.80 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-yl]methanol is sourced from PubChem (CID 117019807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).