(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine

C15H25N3 — CID 93338021

IUPAC(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
SMILESC[C@H](N)CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H25N3/c1-14(16)7-8-17-9-11-18(12-10-17)13-15-5-3-2-4-6-15/h2-6,14H,7-13,16H2,1H3/t14-/m0/s1
InChIKeyHDAJSXZPZQWEHC-AWEZNQCLSA-N
MW247.39 g/mol
LogP1.54
Rot. Bonds5

About (2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine

(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine (PubChem CID 93338021) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine.

Molecular Properties

Compound Name(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
PubChem CID93338021
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
SMILESC[C@H](N)CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H25N3/c1-14(16)7-8-17-9-11-18(12-10-17)13-15-5-3-2-4-6-15/h2-6,14H,7-13,16H2,1H3/t14-/m0/s1
InChIKeyHDAJSXZPZQWEHC-AWEZNQCLSA-N
XLogP1.54
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-benzylpiperazin-1-yl)hexan-2-amine
CID 82853260
1-benzyl-4-[(3S)-3-phenylbutyl]piperazine
CID 1376475
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044
3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine
CID 113229549
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine
CID 43199540
4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine
CID 60842133
1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride
CID 23723096
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide
CID 120565252
1-benzyl-4-[2-[(2S)-pentan-2-yl]oxyethyl]piperazine
CID 139379312

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine?
The IUPAC name of (2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine (CID 93338021) is (2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine.
What is the SMILES notation for (2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine?
The canonical SMILES for (2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine is C[C@H](N)CCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine?
The InChIKey is HDAJSXZPZQWEHC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N3/c1-14(16)7-8-17-9-11-18(12-10-17)13-15-5-3-2-4-6-15/h2-6,14H,7-13,16H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine?
(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine has a molecular weight of 247.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine is sourced from PubChem (CID 93338021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).