N-benzyl-4-[(1R)-1-piperazin-1-ylethyl]aniline

C19H25N3 — CID 171287688

IUPACN-benzyl-4-[(1R)-1-piperazin-1-ylethyl]aniline
SMILESC[C@H](c1ccc(NCc2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C19H25N3/c1-16(22-13-11-20-12-14-22)18-7-9-19(10-8-18)21-15-17-5-3-2-4-6-17/h2-10,16,20-21H,11-15H2,1H3/t16-/m1/s1
InChIKeyYYSQSSVFUHIIAB-MRXNPFEDSA-N
MW295.43 g/mol
LogP3.26
Rot. Bonds5

About N-benzyl-4-[(1R)-1-piperazin-1-ylethyl]aniline

N-benzyl-4-[(1R)-1-piperazin-1-ylethyl]aniline (PubChem CID 171287688) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-benzyl-4-[(1R)-1-piperazin-1-ylethyl]aniline.

Molecular Properties

Compound NameN-benzyl-4-[(1R)-1-piperazin-1-ylethyl]aniline
PubChem CID171287688
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC NameN-benzyl-4-[(1R)-1-piperazin-1-ylethyl]aniline
SMILESC[C@H](c1ccc(NCc2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C19H25N3/c1-16(22-13-11-20-12-14-22)18-7-9-19(10-8-18)21-15-17-5-3-2-4-6-17/h2-10,16,20-21H,11-15H2,1H3/t16-/m1/s1
InChIKeyYYSQSSVFUHIIAB-MRXNPFEDSA-N
XLogP3.26
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]aniline;dihydrochloride
CID 171275095
N-benzyl-4-[(1S)-1-piperazin-1-ylbutyl]aniline
CID 171275088
(2S)-2-[4-(benzylamino)phenyl]-2-piperazin-1-ylethanol
CID 171182941
N-benzyl-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]aniline;dihydrochloride
CID 171287703
N-benzyl-4-[(1S)-1-piperazin-1-ylpentyl]aniline;dihydrochloride
CID 171308846
(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-[(R)-cyclobutyl(piperazin-1-yl)methyl]aniline;dihydrochloride
CID 171287705
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
2-[4-(1-piperazin-1-ylethyl)phenyl]propan-2-ol
CID 117109305
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(1R)-1-piperazin-1-ylethyl]aniline?
The IUPAC name of N-benzyl-4-[(1R)-1-piperazin-1-ylethyl]aniline (CID 171287688) is N-benzyl-4-[(1R)-1-piperazin-1-ylethyl]aniline.
What is the SMILES notation for N-benzyl-4-[(1R)-1-piperazin-1-ylethyl]aniline?
The canonical SMILES for N-benzyl-4-[(1R)-1-piperazin-1-ylethyl]aniline is C[C@H](c1ccc(NCc2ccccc2)cc1)N1CCNCC1.
What is the InChIKey of N-benzyl-4-[(1R)-1-piperazin-1-ylethyl]aniline?
The InChIKey is YYSQSSVFUHIIAB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3/c1-16(22-13-11-20-12-14-22)18-7-9-19(10-8-18)21-15-17-5-3-2-4-6-17/h2-10,16,20-21H,11-15H2,1H3/t16-/m1/s1.
What are the key properties of N-benzyl-4-[(1R)-1-piperazin-1-ylethyl]aniline?
N-benzyl-4-[(1R)-1-piperazin-1-ylethyl]aniline has a molecular weight of 295.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(1R)-1-piperazin-1-ylethyl]aniline is sourced from PubChem (CID 171287688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).