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

C16H24N2O2 — CID 119299189

IUPAC(2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(OCCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-13(17)16(19)18-10-7-15(8-11-18)20-12-9-14-5-3-2-4-6-14/h2-6,13,15H,7-12,17H2,1H3/t13-/m0/s1
InChIKeyVOWDTXWLJMMTTL-ZDUSSCGKSA-N
MW276.38 g/mol
LogP1.58
Rot. Bonds5

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

(2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one (PubChem CID 119299189) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one
PubChem CID119299189
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(OCCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-13(17)16(19)18-10-7-15(8-11-18)20-12-9-14-5-3-2-4-6-14/h2-6,13,15H,7-12,17H2,1H3/t13-/m0/s1
InChIKeyVOWDTXWLJMMTTL-ZDUSSCGKSA-N
XLogP1.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[4-(3-methylbutoxy)piperidin-1-yl]-4-phenylbutan-1-one
CID 155955397
(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119276186
1-methyl-4-(2-phenylethoxy)piperidine
CID 18722996
(2S)-2-[4-(2-phenylethoxy)piperidin-1-yl]butanoic acid
CID 124623051
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one
CID 104983889
(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 119838010
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-benzylsulfanyl-3-methylbutan-1-one;hydrochloride
CID 119663139
2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119341905
(2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride
CID 119321485
(2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one
CID 119337266
(2S)-2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 119339045
1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 75462351

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one (CID 119299189) is (2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one is C[C@H](N)C(=O)N1CCC(OCCc2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one?
The InChIKey is VOWDTXWLJMMTTL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(17)16(19)18-10-7-15(8-11-18)20-12-9-14-5-3-2-4-6-14/h2-6,13,15H,7-12,17H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one?
(2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.58, 5 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-(2-phenylethoxy)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119299189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).