1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine

C15H22N2 — CID 145147201

IUPAC1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine
SMILESC=C(C)c1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C15H22N2/c1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17/h4-7H,1,8-12H2,2-3H3
InChIKeyGRTOXQPWKJIFLY-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.47
Rot. Bonds3

About 1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine

1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine (PubChem CID 145147201) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine
PubChem CID145147201
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine
SMILESC=C(C)c1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C15H22N2/c1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17/h4-7H,1,8-12H2,2-3H3
InChIKeyGRTOXQPWKJIFLY-UHFFFAOYSA-N
XLogP2.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine
CID 87132038
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
N'-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 144761059
(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724574
1-[(4-bromophenyl)methyl]-4-methylpiperazine
CID 22197612
[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol
CID 126671151
N-[[1-[(4-prop-1-en-2-ylphenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 178118415
(2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724584
N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 110903134
1-benzyl-4-methylpiperazine;methanamine
CID 174694163

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine (CID 145147201) is 1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine is C=C(C)c1ccc(CN2CCN(C)CC2)cc1.
What is the InChIKey of 1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine?
The InChIKey is GRTOXQPWKJIFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17/h4-7H,1,8-12H2,2-3H3.
What are the key properties of 1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine?
1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine has a molecular weight of 230.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine is sourced from PubChem (CID 145147201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).