(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone

C13H16ClNO2 — CID 93188912

IUPAC(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)[C@H]1CCCNC1
InChIInChI=1S/C13H16ClNO2/c1-17-12-5-4-10(14)7-11(12)13(16)9-3-2-6-15-8-9/h4-5,7,9,15H,2-3,6,8H2,1H3/t9-/m0/s1
InChIKeyAXJBZGIMGVPAQZ-VIFPVBQESA-N
MW253.73 g/mol
LogP2.53
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone

(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone (PubChem CID 93188912) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
PubChem CID93188912
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)[C@H]1CCCNC1
InChIInChI=1S/C13H16ClNO2/c1-17-12-5-4-10(14)7-11(12)13(16)9-3-2-6-15-8-9/h4-5,7,9,15H,2-3,6,8H2,1H3/t9-/m0/s1
InChIKeyAXJBZGIMGVPAQZ-VIFPVBQESA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
[2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone
CID 82550498
(4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride
CID 154891669
(2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone
CID 116568315
(5-chloro-2-methoxy-3-propan-2-ylphenyl)-piperidin-3-ylmethanone
CID 82552814
(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone
CID 116916892
3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 103551811
(3,5-dichloro-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 82550752
(2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 82552052
(2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 105494724
4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
CID 63321384

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone (CID 93188912) is (5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone is COc1ccc(Cl)cc1C(=O)[C@H]1CCCNC1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone?
The InChIKey is AXJBZGIMGVPAQZ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-17-12-5-4-10(14)7-11(12)13(16)9-3-2-6-15-8-9/h4-5,7,9,15H,2-3,6,8H2,1H3/t9-/m0/s1.
What are the key properties of (5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone?
(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone has a molecular weight of 253.73 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone is sourced from PubChem (CID 93188912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).