[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine

C15H23N3 — CID 61440746

IUPAC[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESNCc1cccc(CN2CCN(C3CC3)CC2)c1
InChIInChI=1S/C15H23N3/c16-11-13-2-1-3-14(10-13)12-17-6-8-18(9-7-17)15-4-5-15/h1-3,10,15H,4-9,11-12,16H2
InChIKeyDQKDZBOLPHFHRV-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.43
Rot. Bonds4

About [3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine

[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine (PubChem CID 61440746) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is [3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine
PubChem CID61440746
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESNCc1cccc(CN2CCN(C3CC3)CC2)c1
InChIInChI=1S/C15H23N3/c16-11-13-2-1-3-14(10-13)12-17-6-8-18(9-7-17)15-4-5-15/h1-3,10,15H,4-9,11-12,16H2
InChIKeyDQKDZBOLPHFHRV-UHFFFAOYSA-N
XLogP1.43
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-cyclopropylpiperazine
CID 69195043
N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62412416
[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 61224005
2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62886075
1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 1361233
N-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61440797
[3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 61439888
[3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]methanamine
CID 39147920
1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol
CID 114678032
[3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine
CID 102662919
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620
[3-[(4-methylsulfanylazepan-1-yl)methyl]phenyl]methanamine
CID 114236668

Frequently Asked Questions

What is the IUPAC name of [3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine (CID 61440746) is [3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine is NCc1cccc(CN2CCN(C3CC3)CC2)c1.
What is the InChIKey of [3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine?
The InChIKey is DQKDZBOLPHFHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c16-11-13-2-1-3-14(10-13)12-17-6-8-18(9-7-17)15-4-5-15/h1-3,10,15H,4-9,11-12,16H2.
What are the key properties of [3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine?
[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine has a molecular weight of 245.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 61440746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).