[4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine

C16H26N2 — CID 114478552

IUPAC[4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1CN1C(C)CCCC1C
InChIInChI=1S/C16H26N2/c1-12-9-15(10-17)7-8-16(12)11-18-13(2)5-4-6-14(18)3/h7-9,13-14H,4-6,10-11,17H2,1-3H3
InChIKeyKOWZIMKKRRYSDF-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.22
Rot. Bonds3

About [4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine

[4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine (PubChem CID 114478552) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine
PubChem CID114478552
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1CN1C(C)CCCC1C
InChIInChI=1S/C16H26N2/c1-12-9-15(10-17)7-8-16(12)11-18-13(2)5-4-6-14(18)3/h7-9,13-14H,4-6,10-11,17H2,1-3H3
InChIKeyKOWZIMKKRRYSDF-UHFFFAOYSA-N
XLogP3.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine?
The IUPAC name of [4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine (CID 114478552) is [4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine.
What is the SMILES notation for [4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine?
The canonical SMILES for [4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine is Cc1cc(CN)ccc1CN1C(C)CCCC1C.
What is the InChIKey of [4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine?
The InChIKey is KOWZIMKKRRYSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-9-15(10-17)7-8-16(12)11-18-13(2)5-4-6-14(18)3/h7-9,13-14H,4-6,10-11,17H2,1-3H3.
What are the key properties of [4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine?
[4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine is sourced from PubChem (CID 114478552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).