(5-chloro-2-methoxy-3-propan-2-ylphenyl)-piperidin-3-ylmethanone

C16H22ClNO2 — CID 82552814

IUPAC(5-chloro-2-methoxy-3-propan-2-ylphenyl)-piperidin-3-ylmethanone
SMILESCOc1c(C(=O)C2CCCNC2)cc(Cl)cc1C(C)C
InChIInChI=1S/C16H22ClNO2/c1-10(2)13-7-12(17)8-14(16(13)20-3)15(19)11-5-4-6-18-9-11/h7-8,10-11,18H,4-6,9H2,1-3H3
InChIKeyQWMANTRKKXGBQP-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.65
Rot. Bonds4

About (5-chloro-2-methoxy-3-propan-2-ylphenyl)-piperidin-3-ylmethanone

(5-chloro-2-methoxy-3-propan-2-ylphenyl)-piperidin-3-ylmethanone (PubChem CID 82552814) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is (5-chloro-2-methoxy-3-propan-2-ylphenyl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2-methoxy-3-propan-2-ylphenyl)-piperidin-3-ylmethanone
PubChem CID82552814
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name(5-chloro-2-methoxy-3-propan-2-ylphenyl)-piperidin-3-ylmethanone
SMILESCOc1c(C(=O)C2CCCNC2)cc(Cl)cc1C(C)C
InChIInChI=1S/C16H22ClNO2/c1-10(2)13-7-12(17)8-14(16(13)20-3)15(19)11-5-4-6-18-9-11/h7-8,10-11,18H,4-6,9H2,1-3H3
InChIKeyQWMANTRKKXGBQP-UHFFFAOYSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxy-3-propan-2-ylphenyl)-pyrrolidin-2-ylmethanone
CID 82552813
(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
CID 93188912
(3,5-dichloro-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 82550752
azetidin-3-yl-(3,5-dichloro-2-methoxyphenyl)methanone
CID 116916761
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381
(4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride
CID 154891669
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-piperidin-3-ylmethanone
CID 104545052
(5-chloro-2,3,4-trimethoxyphenyl)-piperidin-4-ylmethanone
CID 96709317
2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 117387937
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 116916740
(2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 82552052
(2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 105494724

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxy-3-propan-2-ylphenyl)-piperidin-3-ylmethanone?
The IUPAC name of (5-chloro-2-methoxy-3-propan-2-ylphenyl)-piperidin-3-ylmethanone (CID 82552814) is (5-chloro-2-methoxy-3-propan-2-ylphenyl)-piperidin-3-ylmethanone.
What is the SMILES notation for (5-chloro-2-methoxy-3-propan-2-ylphenyl)-piperidin-3-ylmethanone?
The canonical SMILES for (5-chloro-2-methoxy-3-propan-2-ylphenyl)-piperidin-3-ylmethanone is COc1c(C(=O)C2CCCNC2)cc(Cl)cc1C(C)C.
What is the InChIKey of (5-chloro-2-methoxy-3-propan-2-ylphenyl)-piperidin-3-ylmethanone?
The InChIKey is QWMANTRKKXGBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-10(2)13-7-12(17)8-14(16(13)20-3)15(19)11-5-4-6-18-9-11/h7-8,10-11,18H,4-6,9H2,1-3H3.
What are the key properties of (5-chloro-2-methoxy-3-propan-2-ylphenyl)-piperidin-3-ylmethanone?
(5-chloro-2-methoxy-3-propan-2-ylphenyl)-piperidin-3-ylmethanone has a molecular weight of 295.81 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxy-3-propan-2-ylphenyl)-piperidin-3-ylmethanone is sourced from PubChem (CID 82552814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).