(2R)-N-benzyl-2-(4-phenylpiperazin-1-yl)butane-1,4-diamine

C21H30N4 — CID 101335310

IUPAC(2R)-N-benzyl-2-(4-phenylpiperazin-1-yl)butane-1,4-diamine
SMILESNCC[C@H](CNCc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H30N4/c22-12-11-21(18-23-17-19-7-3-1-4-8-19)25-15-13-24(14-16-25)20-9-5-2-6-10-20/h1-10,21,23H,11-18,22H2/t21-/m1/s1
InChIKeyPXDVJMJIJMOVSE-OAQYLSRUSA-N
MW338.50 g/mol
LogP2.32
Rot. Bonds8

About (2R)-N-benzyl-2-(4-phenylpiperazin-1-yl)butane-1,4-diamine

(2R)-N-benzyl-2-(4-phenylpiperazin-1-yl)butane-1,4-diamine (PubChem CID 101335310) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(4-phenylpiperazin-1-yl)butane-1,4-diamine.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(4-phenylpiperazin-1-yl)butane-1,4-diamine
PubChem CID101335310
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name(2R)-N-benzyl-2-(4-phenylpiperazin-1-yl)butane-1,4-diamine
SMILESNCC[C@H](CNCc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H30N4/c22-12-11-21(18-23-17-19-7-3-1-4-8-19)25-15-13-24(14-16-25)20-9-5-2-6-10-20/h1-10,21,23H,11-18,22H2/t21-/m1/s1
InChIKeyPXDVJMJIJMOVSE-OAQYLSRUSA-N
XLogP2.32
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 112722137
3-(4-phenylpiperazin-1-yl)butan-1-amine
CID 60914326
N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine
CID 62423101
4-amino-1-(benzylamino)butan-2-ol
CID 112511959
4-amino-N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)butanamide
CID 10571202
N-ethyl-3-methoxy-2-(4-phenylpiperazin-1-yl)propan-1-amine
CID 103225282
2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 16642722
3-(benzylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109018934
(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide
CID 60532275
(2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250304
4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-(4-phenylpiperazin-1-yl)butane-1,4-diamine?
The IUPAC name of (2R)-N-benzyl-2-(4-phenylpiperazin-1-yl)butane-1,4-diamine (CID 101335310) is (2R)-N-benzyl-2-(4-phenylpiperazin-1-yl)butane-1,4-diamine.
What is the SMILES notation for (2R)-N-benzyl-2-(4-phenylpiperazin-1-yl)butane-1,4-diamine?
The canonical SMILES for (2R)-N-benzyl-2-(4-phenylpiperazin-1-yl)butane-1,4-diamine is NCC[C@H](CNCc1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2R)-N-benzyl-2-(4-phenylpiperazin-1-yl)butane-1,4-diamine?
The InChIKey is PXDVJMJIJMOVSE-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H30N4/c22-12-11-21(18-23-17-19-7-3-1-4-8-19)25-15-13-24(14-16-25)20-9-5-2-6-10-20/h1-10,21,23H,11-18,22H2/t21-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-(4-phenylpiperazin-1-yl)butane-1,4-diamine?
(2R)-N-benzyl-2-(4-phenylpiperazin-1-yl)butane-1,4-diamine has a molecular weight of 338.50 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-(4-phenylpiperazin-1-yl)butane-1,4-diamine is sourced from PubChem (CID 101335310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).