(5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone

C20H22ClNO2 — CID 8800006

IUPAC(5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Cl)ccc2OCc2ccccc2)CC1
InChIInChI=1S/C20H22ClNO2/c1-15-9-11-22(12-10-15)20(23)18-13-17(21)7-8-19(18)24-14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3
InChIKeyZSRXBWGNPHTDDZ-UHFFFAOYSA-N
MW343.85 g/mol
LogP4.79
Rot. Bonds4

About (5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone

(5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 8800006) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is (5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID8800006
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name(5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Cl)ccc2OCc2ccccc2)CC1
InChIInChI=1S/C20H22ClNO2/c1-15-9-11-22(12-10-15)20(23)18-13-17(21)7-8-19(18)24-14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3
InChIKeyZSRXBWGNPHTDDZ-UHFFFAOYSA-N
XLogP4.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-phenylmethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 8800152
(5-chloro-2-phenylmethoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 8800157
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514
[2-[(4-chlorophenyl)methoxy]phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545027
2-(4-chloro-2-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939353
(2-amino-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16772124
(4-benzylpiperazin-1-yl)-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 7964644
1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 119354683
2-[1-[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylbenzoyl]piperidin-4-yl]acetaldehyde
CID 86686420
[2-[(4-chlorophenyl)methoxy]phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561822
5-chloro-N,N-diethyl-2-phenylmethoxybenzamide
CID 8799985
[(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 119411536

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone (CID 8800006) is (5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(Cl)ccc2OCc2ccccc2)CC1.
What is the InChIKey of (5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is ZSRXBWGNPHTDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-15-9-11-22(12-10-15)20(23)18-13-17(21)7-8-19(18)24-14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3.
What are the key properties of (5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone?
(5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 343.85 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 8800006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).