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

C14H23N3 — CID 117020606

IUPAC[2,2-dimethyl-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanamine
SMILESCC1(C)CC(CN)CCN1Cc1ccncc1
InChIInChI=1S/C14H23N3/c1-14(2)9-13(10-15)5-8-17(14)11-12-3-6-16-7-4-12/h3-4,6-7,13H,5,8-11,15H2,1-2H3
InChIKeyCDHKVOPAQQJUCO-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.03
Rot. Bonds3

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

[2,2-dimethyl-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanamine (PubChem CID 117020606) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is [2,2-dimethyl-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[2,2-dimethyl-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanamine
PubChem CID117020606
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name[2,2-dimethyl-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanamine
SMILESCC1(C)CC(CN)CCN1Cc1ccncc1
InChIInChI=1S/C14H23N3/c1-14(2)9-13(10-15)5-8-17(14)11-12-3-6-16-7-4-12/h3-4,6-7,13H,5,8-11,15H2,1-2H3
InChIKeyCDHKVOPAQQJUCO-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine
CID 117020604
4-[(3-bromo-2,2-dimethylpyrrolidin-1-yl)methyl]pyridine
CID 130735019
[2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol
CID 117020676
[2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine
CID 117020616
1-benzyl-2,2-dimethylpiperidine-4-carbonitrile
CID 117020253
1-benzyl-N,2,2-trimethylpiperidin-4-amine
CID 117020178
[1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 60904509
4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63387556
2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine
CID 117018668
1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 117020753
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
[1-(2,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanamine
CID 117020618

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanamine?
The IUPAC name of [2,2-dimethyl-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanamine (CID 117020606) is [2,2-dimethyl-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [2,2-dimethyl-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanamine?
The canonical SMILES for [2,2-dimethyl-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanamine is CC1(C)CC(CN)CCN1Cc1ccncc1.
What is the InChIKey of [2,2-dimethyl-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanamine?
The InChIKey is CDHKVOPAQQJUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2)9-13(10-15)5-8-17(14)11-12-3-6-16-7-4-12/h3-4,6-7,13H,5,8-11,15H2,1-2H3.
What are the key properties of [2,2-dimethyl-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanamine?
[2,2-dimethyl-1-(pyridin-4-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-4-ylmethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 117020606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).