[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine

C14H23N3 — CID 117020604

IUPAC[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine
SMILESCC1(C)CC(CN)CCN1Cc1ccccn1
InChIInChI=1S/C14H23N3/c1-14(2)9-12(10-15)6-8-17(14)11-13-5-3-4-7-16-13/h3-5,7,12H,6,8-11,15H2,1-2H3
InChIKeyLMUUIKZVUVAFOI-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.03
Rot. Bonds3

About [2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine

[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine (PubChem CID 117020604) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is [2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine
PubChem CID117020604
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine
SMILESCC1(C)CC(CN)CCN1Cc1ccccn1
InChIInChI=1S/C14H23N3/c1-14(2)9-12(10-15)6-8-17(14)11-13-5-3-4-7-16-13/h3-5,7,12H,6,8-11,15H2,1-2H3
InChIKeyLMUUIKZVUVAFOI-UHFFFAOYSA-N
XLogP2.03
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine?
The IUPAC name of [2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine (CID 117020604) is [2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine?
The canonical SMILES for [2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine is CC1(C)CC(CN)CCN1Cc1ccccn1.
What is the InChIKey of [2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine?
The InChIKey is LMUUIKZVUVAFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2)9-12(10-15)6-8-17(14)11-13-5-3-4-7-16-13/h3-5,7,12H,6,8-11,15H2,1-2H3.
What are the key properties of [2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine?
[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine has a molecular weight of 233.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 117020604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).