(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone

C15H20ClNO2 — CID 82550103

IUPAC(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
SMILESCCCOc1ccc(Cl)cc1C(=O)C1CCNCC1
InChIInChI=1S/C15H20ClNO2/c1-2-9-19-14-4-3-12(16)10-13(14)15(18)11-5-7-17-8-6-11/h3-4,10-11,17H,2,5-9H2,1H3
InChIKeyRKHJYFJHMIVLTK-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.31
Rot. Bonds5

About (5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone

(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone (PubChem CID 82550103) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
PubChem CID82550103
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
SMILESCCCOc1ccc(Cl)cc1C(=O)C1CCNCC1
InChIInChI=1S/C15H20ClNO2/c1-2-9-19-14-4-3-12(16)10-13(14)15(18)11-5-7-17-8-6-11/h3-4,10-11,17H,2,5-9H2,1H3
InChIKeyRKHJYFJHMIVLTK-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride
CID 119424718
5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550406
5-chloro-2-propoxybenzoyl chloride
CID 12863236
cyclopropyl-(5-iodo-2-propoxyphenyl)methanone
CID 82267286
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381
(2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone
CID 62302314
(5-chloro-2-propoxyphenyl)-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119414568
cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone
CID 82266397
5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide
CID 119445271
N-(5-chloro-2-propoxyphenyl)piperidin-4-amine
CID 54907041
cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone
CID 82262902
cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676512

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone?
The IUPAC name of (5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone (CID 82550103) is (5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone.
What is the SMILES notation for (5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone?
The canonical SMILES for (5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone is CCCOc1ccc(Cl)cc1C(=O)C1CCNCC1.
What is the InChIKey of (5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone?
The InChIKey is RKHJYFJHMIVLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-9-19-14-4-3-12(16)10-13(14)15(18)11-5-7-17-8-6-11/h3-4,10-11,17H,2,5-9H2,1H3.
What are the key properties of (5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone?
(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone has a molecular weight of 281.78 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone is sourced from PubChem (CID 82550103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).