2-(2-chlorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one

C16H23ClN2O2 — CID 119562993

IUPAC2-(2-chlorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
SMILESCCC(Oc1ccccc1Cl)C(=O)N1CCC(NC)CC1
InChIInChI=1S/C16H23ClN2O2/c1-3-14(21-15-7-5-4-6-13(15)17)16(20)19-10-8-12(18-2)9-11-19/h4-7,12,14,18H,3,8-11H2,1-2H3
InChIKeyGRYAZDMXGZEMPM-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.71
Rot. Bonds5

About 2-(2-chlorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one

2-(2-chlorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one (PubChem CID 119562993) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
PubChem CID119562993
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-(2-chlorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
SMILESCCC(Oc1ccccc1Cl)C(=O)N1CCC(NC)CC1
InChIInChI=1S/C16H23ClN2O2/c1-3-14(21-15-7-5-4-6-13(15)17)16(20)19-10-8-12(18-2)9-11-19/h4-7,12,14,18H,3,8-11H2,1-2H3
InChIKeyGRYAZDMXGZEMPM-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 119625530
(2S)-2-(2-chlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 94027693
1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid
CID 119166431
2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43417497
N-(2-aminoethyl)-1-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride
CID 119481611
1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 119377005
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methylphenoxy)butan-1-one;hydrochloride
CID 119648473
(2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one
CID 93488066
2-(2-chlorophenoxy)butanoyl chloride
CID 13239462
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
cis-(1S,3R)-3-[2-(2-chlorophenoxy)butanoylamino]cyclopentane-1-carboxylic acid
CID 120674776
2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119389291

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-(2-chlorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one (CID 119562993) is 2-(2-chlorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-(2-chlorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one is CCC(Oc1ccccc1Cl)C(=O)N1CCC(NC)CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one?
The InChIKey is GRYAZDMXGZEMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-14(21-15-7-5-4-6-13(15)17)16(20)19-10-8-12(18-2)9-11-19/h4-7,12,14,18H,3,8-11H2,1-2H3.
What are the key properties of 2-(2-chlorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one?
2-(2-chlorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one has a molecular weight of 310.82 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 119562993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).