(2S)-2-[4-(benzylamino)phenyl]-2-piperazin-1-ylethanol

C19H25N3O — CID 171182941

IUPAC(2S)-2-[4-(benzylamino)phenyl]-2-piperazin-1-ylethanol
SMILESOC[C@H](c1ccc(NCc2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C19H25N3O/c23-15-19(22-12-10-20-11-13-22)17-6-8-18(9-7-17)21-14-16-4-2-1-3-5-16/h1-9,19-21,23H,10-15H2/t19-/m1/s1
InChIKeyIXGAORHHHVXMEI-LJQANCHMSA-N
MW311.43 g/mol
LogP2.24
Rot. Bonds6

About (2S)-2-[4-(benzylamino)phenyl]-2-piperazin-1-ylethanol

(2S)-2-[4-(benzylamino)phenyl]-2-piperazin-1-ylethanol (PubChem CID 171182941) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-2-[4-(benzylamino)phenyl]-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name(2S)-2-[4-(benzylamino)phenyl]-2-piperazin-1-ylethanol
PubChem CID171182941
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(2S)-2-[4-(benzylamino)phenyl]-2-piperazin-1-ylethanol
SMILESOC[C@H](c1ccc(NCc2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C19H25N3O/c23-15-19(22-12-10-20-11-13-22)17-6-8-18(9-7-17)21-14-16-4-2-1-3-5-16/h1-9,19-21,23H,10-15H2/t19-/m1/s1
InChIKeyIXGAORHHHVXMEI-LJQANCHMSA-N
XLogP2.24
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[(1S)-1-piperazin-1-ylbutyl]aniline
CID 171275088
(3S)-3-[4-(benzylamino)phenyl]-3-piperazin-1-ylpropanenitrile
CID 171305908
(3S)-3-[4-(benzylamino)phenyl]-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305909
N-benzyl-4-[(1S)-1-piperazin-1-ylpentyl]aniline;dihydrochloride
CID 171308846
N-benzyl-4-[(1R)-1-piperazin-1-ylethyl]aniline
CID 171287688
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
N-benzyl-4-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]aniline;dihydrochloride
CID 171275095
N-benzyl-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]aniline;dihydrochloride
CID 171287703
(2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183535
N-benzyl-4-[(R)-cyclobutyl(piperazin-1-yl)methyl]aniline;dihydrochloride
CID 171287705
(2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183512
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(benzylamino)phenyl]-2-piperazin-1-ylethanol?
The IUPAC name of (2S)-2-[4-(benzylamino)phenyl]-2-piperazin-1-ylethanol (CID 171182941) is (2S)-2-[4-(benzylamino)phenyl]-2-piperazin-1-ylethanol.
What is the SMILES notation for (2S)-2-[4-(benzylamino)phenyl]-2-piperazin-1-ylethanol?
The canonical SMILES for (2S)-2-[4-(benzylamino)phenyl]-2-piperazin-1-ylethanol is OC[C@H](c1ccc(NCc2ccccc2)cc1)N1CCNCC1.
What is the InChIKey of (2S)-2-[4-(benzylamino)phenyl]-2-piperazin-1-ylethanol?
The InChIKey is IXGAORHHHVXMEI-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25N3O/c23-15-19(22-12-10-20-11-13-22)17-6-8-18(9-7-17)21-14-16-4-2-1-3-5-16/h1-9,19-21,23H,10-15H2/t19-/m1/s1.
What are the key properties of (2S)-2-[4-(benzylamino)phenyl]-2-piperazin-1-ylethanol?
(2S)-2-[4-(benzylamino)phenyl]-2-piperazin-1-ylethanol has a molecular weight of 311.43 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(benzylamino)phenyl]-2-piperazin-1-ylethanol is sourced from PubChem (CID 171182941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).