2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone

C15H22N2O2 — CID 43392858

IUPAC2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone
SMILESO=C(CNCC(O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C15H22N2O2/c18-14(13-7-3-1-4-8-13)11-16-12-15(19)17-9-5-2-6-10-17/h1,3-4,7-8,14,16,18H,2,5-6,9-12H2
InChIKeyAPBCMERCPUGIFY-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.32
Rot. Bonds5

About 2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone

2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone (PubChem CID 43392858) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone
PubChem CID43392858
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone
SMILESO=C(CNCC(O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C15H22N2O2/c18-14(13-7-3-1-4-8-13)11-16-12-15(19)17-9-5-2-6-10-17/h1,3-4,7-8,14,16,18H,2,5-6,9-12H2
InChIKeyAPBCMERCPUGIFY-UHFFFAOYSA-N
XLogP1.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone
CID 115573496
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-1-pyrrolidin-1-ylethanone
CID 113406015
2-[(2-hydroxy-3-phenoxypropyl)amino]-1-piperidin-1-ylethanone
CID 115582050
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
2-(1-phenylpropylamino)-1-piperidin-1-ylethanone
CID 54845364
ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate
CID 43393105
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone
CID 60672286
2-[(2-hydroxy-2-phenylethyl)amino]-N,N-diphenylacetamide
CID 140529749
2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid
CID 55036831
2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone
CID 114333519

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone (CID 43392858) is 2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone is O=C(CNCC(O)c1ccccc1)N1CCCCC1.
What is the InChIKey of 2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone?
The InChIKey is APBCMERCPUGIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-14(13-7-3-1-4-8-13)11-16-12-15(19)17-9-5-2-6-10-17/h1,3-4,7-8,14,16,18H,2,5-6,9-12H2.
What are the key properties of 2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone?
2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone has a molecular weight of 262.35 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 43392858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).