1-[(2-methylphenyl)methyl]piperidin-4-amine

C13H20N2 — CID 12641834

IUPAC1-[(2-methylphenyl)methyl]piperidin-4-amine
SMILESCc1ccccc1CN1CCC(N)CC1
InChIInChI=1S/C13H20N2/c1-11-4-2-3-5-12(11)10-15-8-6-13(14)7-9-15/h2-5,13H,6-10,14H2,1H3
InChIKeyWFONBGLNOUINIL-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.92
Rot. Bonds2

About 1-[(2-methylphenyl)methyl]piperidin-4-amine

1-[(2-methylphenyl)methyl]piperidin-4-amine (PubChem CID 12641834) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]piperidin-4-amine
PubChem CID12641834
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-[(2-methylphenyl)methyl]piperidin-4-amine
SMILESCc1ccccc1CN1CCC(N)CC1
InChIInChI=1S/C13H20N2/c1-11-4-2-3-5-12(11)10-15-8-6-13(14)7-9-15/h2-5,13H,6-10,14H2,1H3
InChIKeyWFONBGLNOUINIL-UHFFFAOYSA-N
XLogP1.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(2-methylphenyl)methyl]piperidin-4-amine (CID 12641834) is 1-[(2-methylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(2-methylphenyl)methyl]piperidin-4-amine is Cc1ccccc1CN1CCC(N)CC1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]piperidin-4-amine?
The InChIKey is WFONBGLNOUINIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-4-2-3-5-12(11)10-15-8-6-13(14)7-9-15/h2-5,13H,6-10,14H2,1H3.
What are the key properties of 1-[(2-methylphenyl)methyl]piperidin-4-amine?
1-[(2-methylphenyl)methyl]piperidin-4-amine has a molecular weight of 204.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 12641834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).