(2R)-1-[(4-chlorophenyl)methyl]-2,4,5-trimethylpiperazine

C14H21ClN2 — CID 142239812

IUPAC(2R)-1-[(4-chlorophenyl)methyl]-2,4,5-trimethylpiperazine
SMILESCC1CN(Cc2ccc(Cl)cc2)[C@H](C)CN1C
InChIInChI=1S/C14H21ClN2/c1-11-9-17(12(2)8-16(11)3)10-13-4-6-14(15)7-5-13/h4-7,11-12H,8-10H2,1-3H3/t11?,12-/m1/s1
InChIKeyIYOOOMHGSCZEOA-PIJUOVFKSA-N
MW252.79 g/mol
LogP2.86
Rot. Bonds2

About (2R)-1-[(4-chlorophenyl)methyl]-2,4,5-trimethylpiperazine

(2R)-1-[(4-chlorophenyl)methyl]-2,4,5-trimethylpiperazine (PubChem CID 142239812) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is (2R)-1-[(4-chlorophenyl)methyl]-2,4,5-trimethylpiperazine.

Molecular Properties

Compound Name(2R)-1-[(4-chlorophenyl)methyl]-2,4,5-trimethylpiperazine
PubChem CID142239812
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name(2R)-1-[(4-chlorophenyl)methyl]-2,4,5-trimethylpiperazine
SMILESCC1CN(Cc2ccc(Cl)cc2)[C@H](C)CN1C
InChIInChI=1S/C14H21ClN2/c1-11-9-17(12(2)8-16(11)3)10-13-4-6-14(15)7-5-13/h4-7,11-12H,8-10H2,1-3H3/t11?,12-/m1/s1
InChIKeyIYOOOMHGSCZEOA-PIJUOVFKSA-N
XLogP2.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2,4,5-trimethylpiperazine
CID 72621990
(3S)-2-[(4-chlorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211166
N-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine
CID 43665551
(E)-3-(4-bromophenyl)-1-[(2R,5S)-4-[(4-chlorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 11282299
(E)-3-(4-bromophenyl)-1-[(2S,5R)-4-[(4-chlorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 11487694
1-[(4-chlorophenyl)methyl]-7-methyl-3-(2-methylpropyl)-1,4-diazepane
CID 64869987
1-[4-[(S)-[(2S,5R)-4-[(4-chlorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenyl]ethanone
CID 58619544
2-tert-butyl-1-[(4-chlorophenyl)methyl]-5-methylpiperazine
CID 64845947
N-[1-(4-chlorophenyl)propan-2-yl]-1,2,5-trimethylpiperidin-4-amine
CID 43677752
2-[4-(4-chlorobenzoyl)phenoxy]-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 22264771
1-[(4-ethylphenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 64869776
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-chlorophenyl)methyl]-2,4,5-trimethylpiperazine?
The IUPAC name of (2R)-1-[(4-chlorophenyl)methyl]-2,4,5-trimethylpiperazine (CID 142239812) is (2R)-1-[(4-chlorophenyl)methyl]-2,4,5-trimethylpiperazine.
What is the SMILES notation for (2R)-1-[(4-chlorophenyl)methyl]-2,4,5-trimethylpiperazine?
The canonical SMILES for (2R)-1-[(4-chlorophenyl)methyl]-2,4,5-trimethylpiperazine is CC1CN(Cc2ccc(Cl)cc2)[C@H](C)CN1C.
What is the InChIKey of (2R)-1-[(4-chlorophenyl)methyl]-2,4,5-trimethylpiperazine?
The InChIKey is IYOOOMHGSCZEOA-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11-9-17(12(2)8-16(11)3)10-13-4-6-14(15)7-5-13/h4-7,11-12H,8-10H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of (2R)-1-[(4-chlorophenyl)methyl]-2,4,5-trimethylpiperazine?
(2R)-1-[(4-chlorophenyl)methyl]-2,4,5-trimethylpiperazine has a molecular weight of 252.79 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-chlorophenyl)methyl]-2,4,5-trimethylpiperazine is sourced from PubChem (CID 142239812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).