N-[2-[(4-benzylpiperazin-1-yl)methyl]prop-2-enyl]cyclopropanamine

C18H27N3 — CID 103069010

IUPACN-[2-[(4-benzylpiperazin-1-yl)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H27N3/c1-16(13-19-18-7-8-18)14-20-9-11-21(12-10-20)15-17-5-3-2-4-6-17/h2-6,18-19H,1,7-15H2
InChIKeyYEQGPPKJDFBYNL-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.11
Rot. Bonds7

About N-[2-[(4-benzylpiperazin-1-yl)methyl]prop-2-enyl]cyclopropanamine

N-[2-[(4-benzylpiperazin-1-yl)methyl]prop-2-enyl]cyclopropanamine (PubChem CID 103069010) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[2-[(4-benzylpiperazin-1-yl)methyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4-benzylpiperazin-1-yl)methyl]prop-2-enyl]cyclopropanamine
PubChem CID103069010
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC NameN-[2-[(4-benzylpiperazin-1-yl)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H27N3/c1-16(13-19-18-7-8-18)14-20-9-11-21(12-10-20)15-17-5-3-2-4-6-17/h2-6,18-19H,1,7-15H2
InChIKeyYEQGPPKJDFBYNL-UHFFFAOYSA-N
XLogP2.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Plerixafor
CID 65015
Benzathine
CID 8793
1,4-Dibenzylpiperazine
CID 200601
1-Benzylpiperazine
CID 75994
Benzhydrylpiperazine
CID 70048
Isopropylbenzylamine
CID 66024
Norbenzphetamine
CID 102554
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
1-(3-Fluorobenzyl)piperazine
CID 903813
1-Benzyl-4-methyl-piperazine
CID 763557
N-Benzylamphetamine
CID 10149140
Bis(alpha-methylbenzyl)amine
CID 24804

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-benzylpiperazin-1-yl)methyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(4-benzylpiperazin-1-yl)methyl]prop-2-enyl]cyclopropanamine (CID 103069010) is N-[2-[(4-benzylpiperazin-1-yl)methyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4-benzylpiperazin-1-yl)methyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4-benzylpiperazin-1-yl)methyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-[(4-benzylpiperazin-1-yl)methyl]prop-2-enyl]cyclopropanamine?
The InChIKey is YEQGPPKJDFBYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-16(13-19-18-7-8-18)14-20-9-11-21(12-10-20)15-17-5-3-2-4-6-17/h2-6,18-19H,1,7-15H2.
What are the key properties of N-[2-[(4-benzylpiperazin-1-yl)methyl]prop-2-enyl]cyclopropanamine?
N-[2-[(4-benzylpiperazin-1-yl)methyl]prop-2-enyl]cyclopropanamine has a molecular weight of 285.43 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-benzylpiperazin-1-yl)methyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103069010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).