1-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]piperazine

C15H22N2 — CID 20736265

IUPAC1-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]piperazine
SMILESC/C=C/c1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C15H22N2/c1-3-4-14-5-7-15(8-6-14)13-17-11-9-16(2)10-12-17/h3-8H,9-13H2,1-2H3/b4-3+
InChIKeyCQOVLSSAPJFPNA-ONEGZZNKSA-N
MW230.36 g/mol
LogP2.47
Rot. Bonds3

About 1-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]piperazine

1-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]piperazine (PubChem CID 20736265) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]piperazine
PubChem CID20736265
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name1-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]piperazine
SMILESC/C=C/c1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C15H22N2/c1-3-4-14-5-7-15(8-6-14)13-17-11-9-16(2)10-12-17/h3-8H,9-13H2,1-2H3/b4-3+
InChIKeyCQOVLSSAPJFPNA-ONEGZZNKSA-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 ≤ 500230.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-methylpiperazin-1-yl)methyl]benzaldehyde;dihydrochloride
CID 87711425
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
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CID 166880014
1-[(4-bromophenyl)methyl]-4-methylpiperazine
CID 22197612
1-[(E)-4-(4-fluorophenyl)but-3-enyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 138460328
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
4,13-bis[(4-bromophenyl)methyl]-7,16,21,24-tetramethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane
CID 166072778
[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol
CID 126671151
N-(2,2-dimethylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]aniline
CID 112721064
1-methyl-4-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-1,4-diazepane
CID 170863358
4-[[4,7,10-tris[(4-formylphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]benzaldehyde
CID 154202644
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]piperazine (CID 20736265) is 1-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]piperazine is C/C=C/c1ccc(CN2CCN(C)CC2)cc1.
What is the InChIKey of 1-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]piperazine?
The InChIKey is CQOVLSSAPJFPNA-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-4-14-5-7-15(8-6-14)13-17-11-9-16(2)10-12-17/h3-8H,9-13H2,1-2H3/b4-3+.
What are the key properties of 1-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]piperazine?
1-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]piperazine has a molecular weight of 230.36 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-[(E)-prop-1-enyl]phenyl]methyl]piperazine is sourced from PubChem (CID 20736265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).