3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one

C15H21ClN2O2 — CID 120873460

IUPAC3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one
SMILESCC(N)CC(=O)N1CCCC(Oc2ccccc2Cl)C1
InChIInChI=1S/C15H21ClN2O2/c1-11(17)9-15(19)18-8-4-5-12(10-18)20-14-7-3-2-6-13(14)16/h2-3,6-7,11-12H,4-5,8-10,17H2,1H3
InChIKeyPGIWKYBTTSWJDN-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.45
Rot. Bonds4

About 3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one

3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one (PubChem CID 120873460) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one
PubChem CID120873460
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one
SMILESCC(N)CC(=O)N1CCCC(Oc2ccccc2Cl)C1
InChIInChI=1S/C15H21ClN2O2/c1-11(17)9-15(19)18-8-4-5-12(10-18)20-14-7-3-2-6-13(14)16/h2-3,6-7,11-12H,4-5,8-10,17H2,1H3
InChIKeyPGIWKYBTTSWJDN-UHFFFAOYSA-N
XLogP2.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one
CID 124593505
(2S)-2-amino-1-[(3R)-3-(2-chlorophenoxy)pyrrolidin-1-yl]pentan-1-one
CID 97261184
3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one
CID 119814869
3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119814868
1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide
CID 119697874
1-[3-(2-chlorophenoxy)azetidin-1-yl]-3-imidazol-1-ylbutan-1-one
CID 118786424
2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one
CID 75483886
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 122256173
(3R)-4-(2-methoxyphenyl)-1-[(3R)-3-methoxypiperidin-1-yl]-3-methylbutan-1-one
CID 95615452
3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one
CID 120873928
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-3-phenylpropan-1-one
CID 122256256
(2S)-2-amino-1-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 91647253

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one (CID 120873460) is 3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one is CC(N)CC(=O)N1CCCC(Oc2ccccc2Cl)C1.
What is the InChIKey of 3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one?
The InChIKey is PGIWKYBTTSWJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11(17)9-15(19)18-8-4-5-12(10-18)20-14-7-3-2-6-13(14)16/h2-3,6-7,11-12H,4-5,8-10,17H2,1H3.
What are the key properties of 3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one?
3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one has a molecular weight of 296.80 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 120873460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).