N-[(4-chlorophenyl)methyl]-N-methyl-1-[4-(1-methylpiperidin-4-yl)phenyl]methanamine

C21H27ClN2 — CID 127042122

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-1-[4-(1-methylpiperidin-4-yl)phenyl]methanamine
SMILESCN1CCC(c2ccc(CN(C)Cc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H27ClN2/c1-23-13-11-20(12-14-23)19-7-3-17(4-8-19)15-24(2)16-18-5-9-21(22)10-6-18/h3-10,20H,11-16H2,1-2H3
InChIKeyIFDGQFUYOOYEGE-UHFFFAOYSA-N
MW342.91 g/mol
LogP4.78
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-methyl-1-[4-(1-methylpiperidin-4-yl)phenyl]methanamine

N-[(4-chlorophenyl)methyl]-N-methyl-1-[4-(1-methylpiperidin-4-yl)phenyl]methanamine (PubChem CID 127042122) has the molecular formula C21H27ClN2 and a molecular weight of 342.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-1-[4-(1-methylpiperidin-4-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-1-[4-(1-methylpiperidin-4-yl)phenyl]methanamine
PubChem CID127042122
Molecular FormulaC21H27ClN2
Molecular Weight342.91 g/mol
Exact Mass342.19
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-1-[4-(1-methylpiperidin-4-yl)phenyl]methanamine
SMILESCN1CCC(c2ccc(CN(C)Cc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H27ClN2/c1-23-13-11-20(12-14-23)19-7-3-17(4-8-19)15-24(2)16-18-5-9-21(22)10-6-18/h3-10,20H,11-16H2,1-2H3
InChIKeyIFDGQFUYOOYEGE-UHFFFAOYSA-N
XLogP4.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.91
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorcyclizine
CID 2710
Buclizine
CID 6729
Meclizine
CID 4034
Homochlorcyclizine
CID 3627
Chlorcyclizine Hydrochloride
CID 62413
Norchlorcyclizine
CID 9340
Buclizine Hydrochloride
CID 65463
Meclozine Dihydrochloride
CID 64713
Meclizine Hydrochloride
CID 173612
Meclizine Monohydrochloride
CID 92303
Clocinizine
CID 5375618
1-[Bis(4-chlorophenyl)methyl]piperazine
CID 285510

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-1-[4-(1-methylpiperidin-4-yl)phenyl]methanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-1-[4-(1-methylpiperidin-4-yl)phenyl]methanamine (CID 127042122) is N-[(4-chlorophenyl)methyl]-N-methyl-1-[4-(1-methylpiperidin-4-yl)phenyl]methanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-1-[4-(1-methylpiperidin-4-yl)phenyl]methanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-1-[4-(1-methylpiperidin-4-yl)phenyl]methanamine is CN1CCC(c2ccc(CN(C)Cc3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-1-[4-(1-methylpiperidin-4-yl)phenyl]methanamine?
The InChIKey is IFDGQFUYOOYEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2/c1-23-13-11-20(12-14-23)19-7-3-17(4-8-19)15-24(2)16-18-5-9-21(22)10-6-18/h3-10,20H,11-16H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-1-[4-(1-methylpiperidin-4-yl)phenyl]methanamine?
N-[(4-chlorophenyl)methyl]-N-methyl-1-[4-(1-methylpiperidin-4-yl)phenyl]methanamine has a molecular weight of 342.91 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-1-[4-(1-methylpiperidin-4-yl)phenyl]methanamine is sourced from PubChem (CID 127042122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).