N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine

C18H29N3 — CID 62425638

IUPACN-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine
SMILESCC(CCNC1CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H29N3/c1-16(9-10-19-18-7-8-18)21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-6,16,18-19H,7-15H2,1H3
InChIKeyCIJQSJNXWUVWIL-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.33
Rot. Bonds7

About N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine

N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine (PubChem CID 62425638) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine
PubChem CID62425638
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine
SMILESCC(CCNC1CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H29N3/c1-16(9-10-19-18-7-8-18)21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-6,16,18-19H,7-15H2,1H3
InChIKeyCIJQSJNXWUVWIL-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine
CID 62425823
1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1378378
1-benzyl-N-(4-methylpentyl)piperidin-4-amine
CID 60744361
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
(2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol
CID 129395668
1-benzyl-N-butylpiperidin-4-amine
CID 11253643
1-benzyl-N-(2-methylsulfinylethyl)piperidin-4-amine
CID 115654108
3-(4-benzylpiperazin-1-yl)butanenitrile
CID 54946270
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352
1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine
CID 796148
N-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine
CID 117205656
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine (CID 62425638) is N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine is CC(CCNC1CC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine?
The InChIKey is CIJQSJNXWUVWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-16(9-10-19-18-7-8-18)21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-6,16,18-19H,7-15H2,1H3.
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine?
N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine has a molecular weight of 287.45 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine is sourced from PubChem (CID 62425638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).