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Meclizine

C25H27ClN2 — CID 4034

💊View drug profile → meclozine

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine
SMILESCc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3
InChIKeyOCJYIGYOJCODJL-UHFFFAOYSA-N
MW390.96 g/mol
LogP5.56
Rot. Bonds5

About Meclizine

Meclizine (PubChem CID 4034) has the molecular formula C25H27ClN2 and a molecular weight of 390.96 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine.

Molecular Properties

Compound NameMeclizine
PubChem CID4034
Molecular FormulaC25H27ClN2
Molecular Weight390.96 g/mol
Exact Mass390.19
IUPAC Name1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine
SMILESCc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3
InChIKeyOCJYIGYOJCODJL-UHFFFAOYSA-N
XLogP5.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.96
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorcyclizine
CID 2710
Buclizine
CID 6729
Homochlorcyclizine
CID 3627
Norchlorcyclizine
CID 9340
Cyclizine Hydrochloride
CID 6420019

Frequently Asked Questions

What is the IUPAC name of Meclizine?
The IUPAC name of Meclizine (CID 4034) is 1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine.
What is the SMILES notation for Meclizine?
The canonical SMILES for Meclizine is Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of Meclizine?
The InChIKey is OCJYIGYOJCODJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3.
What are the key properties of Meclizine?
Meclizine has a molecular weight of 390.96 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Meclizine is sourced from PubChem (CID 4034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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