(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one

C14H19ClN2O2 — CID 67529016

IUPAC(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O2/c1-10(16)14(18)17-8-6-13(7-9-17)19-12-4-2-11(15)3-5-12/h2-5,10,13H,6-9,16H2,1H3/t10-/m0/s1
InChIKeyNDIWEOYXDQRPMC-JTQLQIEISA-N
MW282.77 g/mol
LogP2.06
Rot. Bonds3

About (2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one

(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one (PubChem CID 67529016) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
PubChem CID67529016
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O2/c1-10(16)14(18)17-8-6-13(7-9-17)19-12-4-2-11(15)3-5-12/h2-5,10,13H,6-9,16H2,1H3/t10-/m0/s1
InChIKeyNDIWEOYXDQRPMC-JTQLQIEISA-N
XLogP2.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[4-(4-nitrophenoxy)piperidin-1-yl]propan-1-one
CID 119334478
[(2R)-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 95869074
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
1-[4-(4-chlorophenoxy)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 70725620
(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 79013212
(2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119289954
(2S)-2-amino-1-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propan-1-one
CID 99704053
(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one
CID 119321782
(2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 67530037
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
6-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-6-oxohexanoic acid
CID 70096196
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one (CID 67529016) is (2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one is C[C@H](N)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one?
The InChIKey is NDIWEOYXDQRPMC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10(16)14(18)17-8-6-13(7-9-17)19-12-4-2-11(15)3-5-12/h2-5,10,13H,6-9,16H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one?
(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one has a molecular weight of 282.77 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 67529016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).