1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol

C19H24Cl2N2O — CID 170615369

IUPAC1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol
SMILESCC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCN1.CO
InChIInChI=1S/C18H20Cl2N2.CH4O/c1-13-12-22(11-10-21-13)18(14-2-6-16(19)7-3-14)15-4-8-17(20)9-5-15;1-2/h2-9,13,18,21H,10-12H2,1H3;2H,1H3
InChIKeyGKEKQWYPNPWNRJ-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.98
Rot. Bonds3

About 1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol

1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol (PubChem CID 170615369) has the molecular formula C19H24Cl2N2O and a molecular weight of 367.32 g/mol. Its IUPAC name is 1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol.

Molecular Properties

Compound Name1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol
PubChem CID170615369
Molecular FormulaC19H24Cl2N2O
Molecular Weight367.32 g/mol
Exact Mass366.13
IUPAC Name1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol
SMILESCC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCN1.CO
InChIInChI=1S/C18H20Cl2N2.CH4O/c1-13-12-22(11-10-21-13)18(14-2-6-16(19)7-3-14)15-4-8-17(20)9-5-15;1-2/h2-9,13,18,21H,10-12H2,1H3;2H,1H3
InChIKeyGKEKQWYPNPWNRJ-UHFFFAOYSA-N
XLogP3.98
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine
CID 64925953
1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 170615246
1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
CID 65418511
1-[1-(4-chlorophenyl)-3-methylbutyl]-3-methylpiperazine;ethane
CID 176717104
(3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine
CID 68931032
(3S)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-methylpiperazine
CID 96801118
1-[1-(3-bromo-4-fluorophenyl)ethyl]-3-methylpiperazine
CID 65416576
(3R)-1-benzhydryl-3-methylpiperazine;[bromo(phenyl)methyl]benzene;methane;(2R)-2-methylpiperazine
CID 158734559
1-[(R)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]-3-methylpiperazine
CID 87600785
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
CID 24745687
3-tert-butyl-1-[1-(4-chlorophenyl)ethyl]piperazine
CID 64926136
1-[bis(4-fluorophenyl)methyl]-3-propan-2-ylpiperazine
CID 20794534

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol?
The IUPAC name of 1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol (CID 170615369) is 1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol.
What is the SMILES notation for 1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol?
The canonical SMILES for 1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol is CC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCN1.CO.
What is the InChIKey of 1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol?
The InChIKey is GKEKQWYPNPWNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2.CH4O/c1-13-12-22(11-10-21-13)18(14-2-6-16(19)7-3-14)15-4-8-17(20)9-5-15;1-2/h2-9,13,18,21H,10-12H2,1H3;2H,1H3.
What are the key properties of 1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol?
1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol has a molecular weight of 367.32 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol is sourced from PubChem (CID 170615369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).