(3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine

C15H24N2 — CID 95449204

IUPAC(3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
SMILESCC(C)c1ccc(CN2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C15H24N2/c1-12(2)15-6-4-14(5-7-15)11-17-9-8-16-13(3)10-17/h4-7,12-13,16H,8-11H2,1-3H3/t13-/m0/s1
InChIKeyJMMVMFQZWQHGEE-ZDUSSCGKSA-N
MW232.37 g/mol
LogP2.60
Rot. Bonds3

About (3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine

(3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine (PubChem CID 95449204) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name(3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
PubChem CID95449204
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
SMILESCC(C)c1ccc(CN2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C15H24N2/c1-12(2)15-6-4-14(5-7-15)11-17-9-8-16-13(3)10-17/h4-7,12-13,16H,8-11H2,1-3H3/t13-/m0/s1
InChIKeyJMMVMFQZWQHGEE-ZDUSSCGKSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 120615750
3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64831824
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 66524664
(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502
4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol
CID 103898354
ethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 177060331
3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 58659547
1-[(3-chloro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 65419171
(3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 168510109
1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine
CID 64833210

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine?
The IUPAC name of (3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine (CID 95449204) is (3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine.
What is the SMILES notation for (3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine?
The canonical SMILES for (3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine is CC(C)c1ccc(CN2CCN[C@@H](C)C2)cc1.
What is the InChIKey of (3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine?
The InChIKey is JMMVMFQZWQHGEE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(2)15-6-4-14(5-7-15)11-17-9-8-16-13(3)10-17/h4-7,12-13,16H,8-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine?
(3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine has a molecular weight of 232.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine is sourced from PubChem (CID 95449204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).