(2S,5S)-2,5-bis[(4-chlorophenyl)methyl]-1-methylpiperazine

C19H22Cl2N2 — CID 169042731

IUPAC(2S,5S)-2,5-bis[(4-chlorophenyl)methyl]-1-methylpiperazine
SMILESCN1C[C@H](Cc2ccc(Cl)cc2)NC[C@@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H22Cl2N2/c1-23-13-18(10-14-2-6-16(20)7-3-14)22-12-19(23)11-15-4-8-17(21)9-5-15/h2-9,18-19,22H,10-13H2,1H3/t18-,19-/m0/s1
InChIKeyGWOLBQUZTRXMCW-OALUTQOASA-N
MW349.31 g/mol
LogP4.05
Rot. Bonds4

About (2S,5S)-2,5-bis[(4-chlorophenyl)methyl]-1-methylpiperazine

(2S,5S)-2,5-bis[(4-chlorophenyl)methyl]-1-methylpiperazine (PubChem CID 169042731) has the molecular formula C19H22Cl2N2 and a molecular weight of 349.31 g/mol. Its IUPAC name is (2S,5S)-2,5-bis[(4-chlorophenyl)methyl]-1-methylpiperazine.

Molecular Properties

Compound Name(2S,5S)-2,5-bis[(4-chlorophenyl)methyl]-1-methylpiperazine
PubChem CID169042731
Molecular FormulaC19H22Cl2N2
Molecular Weight349.31 g/mol
Exact Mass348.12
IUPAC Name(2S,5S)-2,5-bis[(4-chlorophenyl)methyl]-1-methylpiperazine
SMILESCN1C[C@H](Cc2ccc(Cl)cc2)NC[C@@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H22Cl2N2/c1-23-13-18(10-14-2-6-16(20)7-3-14)22-12-19(23)11-15-4-8-17(21)9-5-15/h2-9,18-19,22H,10-13H2,1H3/t18-,19-/m0/s1
InChIKeyGWOLBQUZTRXMCW-OALUTQOASA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-5-ethyl-1-methylpiperazine
CID 64843712
(2S,5S)-5-benzyl-1,2-dimethylpiperazine
CID 82396489
2-benzyl-1,5-dimethylpiperazine
CID 64844005
1,2,5-tribenzylpiperazine
CID 64850137
(2S,4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidine
CID 126641906
[5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol
CID 126668161
5-benzyl-2-cyclopropyl-1-methylpiperazine
CID 64848784
3-[(4-chlorophenyl)methyl]-1-(2-ethoxyethyl)piperazine
CID 155577127
(2R,6S)-4-[2-[(3R)-3-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-2,6-dimethylmorpholine;trihydrochloride
CID 69416556
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine
CID 155765827
(6S)-6-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazin-2-one
CID 170200141
(2R)-2-benzyl-1-methylaziridine
CID 87174257

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-bis[(4-chlorophenyl)methyl]-1-methylpiperazine?
The IUPAC name of (2S,5S)-2,5-bis[(4-chlorophenyl)methyl]-1-methylpiperazine (CID 169042731) is (2S,5S)-2,5-bis[(4-chlorophenyl)methyl]-1-methylpiperazine.
What is the SMILES notation for (2S,5S)-2,5-bis[(4-chlorophenyl)methyl]-1-methylpiperazine?
The canonical SMILES for (2S,5S)-2,5-bis[(4-chlorophenyl)methyl]-1-methylpiperazine is CN1C[C@H](Cc2ccc(Cl)cc2)NC[C@@H]1Cc1ccc(Cl)cc1.
What is the InChIKey of (2S,5S)-2,5-bis[(4-chlorophenyl)methyl]-1-methylpiperazine?
The InChIKey is GWOLBQUZTRXMCW-OALUTQOASA-N. The full InChI is InChI=1S/C19H22Cl2N2/c1-23-13-18(10-14-2-6-16(20)7-3-14)22-12-19(23)11-15-4-8-17(21)9-5-15/h2-9,18-19,22H,10-13H2,1H3/t18-,19-/m0/s1.
What are the key properties of (2S,5S)-2,5-bis[(4-chlorophenyl)methyl]-1-methylpiperazine?
(2S,5S)-2,5-bis[(4-chlorophenyl)methyl]-1-methylpiperazine has a molecular weight of 349.31 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-bis[(4-chlorophenyl)methyl]-1-methylpiperazine is sourced from PubChem (CID 169042731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).