2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine

C18H31N3 — CID 43252940

IUPAC2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine
SMILESCC(CN)CN1CCN(Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C18H31N3/c1-15(2)18-6-4-17(5-7-18)14-21-10-8-20(9-11-21)13-16(3)12-19/h4-7,15-16H,8-14,19H2,1-3H3
InChIKeyCMCPGYSPZUMNEI-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.52
Rot. Bonds6

About 2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine

2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine (PubChem CID 43252940) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine
PubChem CID43252940
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine
SMILESCC(CN)CN1CCN(Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C18H31N3/c1-15(2)18-6-4-17(5-7-18)14-21-10-8-20(9-11-21)13-16(3)12-19/h4-7,15-16H,8-14,19H2,1-3H3
InChIKeyCMCPGYSPZUMNEI-UHFFFAOYSA-N
XLogP2.52
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
1-(2-chloroethyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 55183481
2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetonitrile
CID 60676643
1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 1375687
3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine
CID 55041230
(1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol
CID 34187761
ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen
CID 156794443
N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 60820296
3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanoic acid
CID 43396140
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 1109343
1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine
CID 82166048
1-methyl-4-[[4-[(2R)-3-methylbutan-2-yl]phenyl]methyl]piperazine
CID 134243219

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine (CID 43252940) is 2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine is CC(CN)CN1CCN(Cc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine?
The InChIKey is CMCPGYSPZUMNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-15(2)18-6-4-17(5-7-18)14-21-10-8-20(9-11-21)13-16(3)12-19/h4-7,15-16H,8-14,19H2,1-3H3.
What are the key properties of 2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine?
2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 43252940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).