[2-chloro-4-(2-methylpropoxy)phenyl]-piperidin-4-ylmethanone

C16H22ClNO2 — CID 82551740

IUPAC[2-chloro-4-(2-methylpropoxy)phenyl]-piperidin-4-ylmethanone
SMILESCC(C)COc1ccc(C(=O)C2CCNCC2)c(Cl)c1
InChIInChI=1S/C16H22ClNO2/c1-11(2)10-20-13-3-4-14(15(17)9-13)16(19)12-5-7-18-8-6-12/h3-4,9,11-12,18H,5-8,10H2,1-2H3
InChIKeyKANBJOMKJGXAKA-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.56
Rot. Bonds5

About [2-chloro-4-(2-methylpropoxy)phenyl]-piperidin-4-ylmethanone

[2-chloro-4-(2-methylpropoxy)phenyl]-piperidin-4-ylmethanone (PubChem CID 82551740) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is [2-chloro-4-(2-methylpropoxy)phenyl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[2-chloro-4-(2-methylpropoxy)phenyl]-piperidin-4-ylmethanone
PubChem CID82551740
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name[2-chloro-4-(2-methylpropoxy)phenyl]-piperidin-4-ylmethanone
SMILESCC(C)COc1ccc(C(=O)C2CCNCC2)c(Cl)c1
InChIInChI=1S/C16H22ClNO2/c1-11(2)10-20-13-3-4-14(15(17)9-13)16(19)12-5-7-18-8-6-12/h3-4,9,11-12,18H,5-8,10H2,1-2H3
InChIKeyKANBJOMKJGXAKA-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-ethoxyphenyl)-cyclopropylmethanone
CID 82267627
(2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone
CID 43330615
[2-ethyl-5-(2-methylpropoxy)phenyl]-(4-methoxycyclohexyl)methanone
CID 126629458
[2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone
CID 82553649
(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone
CID 82553003
4-(2-aminopropoxy)-2-chlorobenzoic acid
CID 167724006
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 115004226
2-chloro-4-(2,2-dimethyl-3-piperidin-4-ylpropoxy)-N,N-dimethylbenzamide
CID 142325162
N-[3-(2-methylpropoxy)phenyl]-2-piperidin-4-ylacetamide
CID 61030317
(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
CID 82550103
2-chloro-4-(2-methylpropoxy)benzaldehyde
CID 52982918
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(2-methylpropoxy)phenyl]-piperidin-4-ylmethanone?
The IUPAC name of [2-chloro-4-(2-methylpropoxy)phenyl]-piperidin-4-ylmethanone (CID 82551740) is [2-chloro-4-(2-methylpropoxy)phenyl]-piperidin-4-ylmethanone.
What is the SMILES notation for [2-chloro-4-(2-methylpropoxy)phenyl]-piperidin-4-ylmethanone?
The canonical SMILES for [2-chloro-4-(2-methylpropoxy)phenyl]-piperidin-4-ylmethanone is CC(C)COc1ccc(C(=O)C2CCNCC2)c(Cl)c1.
What is the InChIKey of [2-chloro-4-(2-methylpropoxy)phenyl]-piperidin-4-ylmethanone?
The InChIKey is KANBJOMKJGXAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-11(2)10-20-13-3-4-14(15(17)9-13)16(19)12-5-7-18-8-6-12/h3-4,9,11-12,18H,5-8,10H2,1-2H3.
What are the key properties of [2-chloro-4-(2-methylpropoxy)phenyl]-piperidin-4-ylmethanone?
[2-chloro-4-(2-methylpropoxy)phenyl]-piperidin-4-ylmethanone has a molecular weight of 295.81 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(2-methylpropoxy)phenyl]-piperidin-4-ylmethanone is sourced from PubChem (CID 82551740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).