(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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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).