2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol

C15H22ClNO — CID 172900561

IUPAC2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C15H22ClNO/c1-15(2,18)13-7-9-17(10-8-13)11-12-5-3-4-6-14(12)16/h3-6,13,18H,7-11H2,1-2H3
InChIKeyIPURBTZWMSFVSK-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.32
Rot. Bonds3

About 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol

2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol (PubChem CID 172900561) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol
PubChem CID172900561
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C15H22ClNO/c1-15(2,18)13-7-9-17(10-8-13)11-12-5-3-4-6-14(12)16/h3-6,13,18H,7-11H2,1-2H3
InChIKeyIPURBTZWMSFVSK-UHFFFAOYSA-N
XLogP3.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-methylbutan-1-one
CID 155674278
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol
CID 131912751
1-tert-butyl-3-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylguanidine
CID 111547181
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 55090709
3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine
CID 63388048
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006
N-[(4-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
CID 155518071
[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate
CID 91291495
(4-chlorophenyl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 60561002

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol (CID 172900561) is 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol is CC(C)(O)C1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol?
The InChIKey is IPURBTZWMSFVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-15(2,18)13-7-9-17(10-8-13)11-12-5-3-4-6-14(12)16/h3-6,13,18H,7-11H2,1-2H3.
What are the key properties of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol?
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol has a molecular weight of 267.80 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 172900561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).