1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine

C14H22N2 — CID 82393171

IUPAC1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine
SMILESCc1ccc(CC2CN(C)CCC2N)cc1
InChIInChI=1S/C14H22N2/c1-11-3-5-12(6-4-11)9-13-10-16(2)8-7-14(13)15/h3-6,13-14H,7-10,15H2,1-2H3
InChIKeyZXIGWTDJDQHKDK-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.82
Rot. Bonds2

About 1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine

1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine (PubChem CID 82393171) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine
PubChem CID82393171
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine
SMILESCc1ccc(CC2CN(C)CCC2N)cc1
InChIInChI=1S/C14H22N2/c1-11-3-5-12(6-4-11)9-13-10-16(2)8-7-14(13)15/h3-6,13-14H,7-10,15H2,1-2H3
InChIKeyZXIGWTDJDQHKDK-UHFFFAOYSA-N
XLogP1.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine (CID 82393171) is 1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine is Cc1ccc(CC2CN(C)CCC2N)cc1.
What is the InChIKey of 1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine?
The InChIKey is ZXIGWTDJDQHKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-3-5-12(6-4-11)9-13-10-16(2)8-7-14(13)15/h3-6,13-14H,7-10,15H2,1-2H3.
What are the key properties of 1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine?
1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine has a molecular weight of 218.34 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 82393171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).