1-(4-benzylpiperazin-1-yl)-3-ethylpentan-3-amine

C18H31N3 — CID 18430970

IUPAC1-(4-benzylpiperazin-1-yl)-3-ethylpentan-3-amine
SMILESCCC(N)(CC)CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H31N3/c1-3-18(19,4-2)10-11-20-12-14-21(15-13-20)16-17-8-6-5-7-9-17/h5-9H,3-4,10-16,19H2,1-2H3
InChIKeyJGDLAQWHDJWQHT-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.71
Rot. Bonds7

About 1-(4-benzylpiperazin-1-yl)-3-ethylpentan-3-amine

1-(4-benzylpiperazin-1-yl)-3-ethylpentan-3-amine (PubChem CID 18430970) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-ethylpentan-3-amine.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-ethylpentan-3-amine
PubChem CID18430970
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-ethylpentan-3-amine
SMILESCCC(N)(CC)CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H31N3/c1-3-18(19,4-2)10-11-20-12-14-21(15-13-20)16-17-8-6-5-7-9-17/h5-9H,3-4,10-16,19H2,1-2H3
InChIKeyJGDLAQWHDJWQHT-UHFFFAOYSA-N
XLogP2.71
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
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1-benzyl-4-butylpiperazine;ethane
CID 90954358
1-benzyl-4-heptylpiperazine
CID 22088087
5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol
CID 139898949
1-benzyl-4-(2-methylsulfonylethyl)piperazine
CID 78787270
(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
CID 93338021
1-benzylpyrrolidine;propane
CID 143692089
1-benzyl-4-[(3S)-3-phenylbutyl]piperazine
CID 1376475
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-4-tert-butylpiperazine
CID 3591937
1-benzyl-4-(3-methylsulfonylpropyl)piperazine
CID 142978183

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-ethylpentan-3-amine?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-ethylpentan-3-amine (CID 18430970) is 1-(4-benzylpiperazin-1-yl)-3-ethylpentan-3-amine.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-ethylpentan-3-amine?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-ethylpentan-3-amine is CCC(N)(CC)CCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-ethylpentan-3-amine?
The InChIKey is JGDLAQWHDJWQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-3-18(19,4-2)10-11-20-12-14-21(15-13-20)16-17-8-6-5-7-9-17/h5-9H,3-4,10-16,19H2,1-2H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-ethylpentan-3-amine?
1-(4-benzylpiperazin-1-yl)-3-ethylpentan-3-amine has a molecular weight of 289.47 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-ethylpentan-3-amine is sourced from PubChem (CID 18430970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).