[2,2-dimethyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanamine

C14H23N3 — CID 117019703

IUPAC[2,2-dimethyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanamine
SMILESCC1(C)C(CN)CCCN1Cc1cccnc1
InChIInChI=1S/C14H23N3/c1-14(2)13(9-15)6-4-8-17(14)11-12-5-3-7-16-10-12/h3,5,7,10,13H,4,6,8-9,11,15H2,1-2H3
InChIKeyANKDBEGOJPRWQP-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.03
Rot. Bonds3

About [2,2-dimethyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanamine

[2,2-dimethyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanamine (PubChem CID 117019703) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is [2,2-dimethyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[2,2-dimethyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanamine
PubChem CID117019703
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name[2,2-dimethyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanamine
SMILESCC1(C)C(CN)CCCN1Cc1cccnc1
InChIInChI=1S/C14H23N3/c1-14(2)13(9-15)6-4-8-17(14)11-12-5-3-7-16-10-12/h3,5,7,10,13H,4,6,8-9,11,15H2,1-2H3
InChIKeyANKDBEGOJPRWQP-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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Related Compounds

[2,2-dimethyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]methanamine
CID 117019700
8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877587
2,2-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane
CID 117014799
[(2R,3R)-2-methyl-1-(pyridin-3-ylmethyl)azepan-3-yl]methanamine
CID 96597473
N,6,6-trimethyl-1-(pyridin-3-ylmethyl)piperidin-3-amine
CID 117021082
8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233276
3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine
CID 130756994
3,3-dimethyl-1-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 120775808
[3,3-dimethyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol
CID 117024926
9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712920
2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine
CID 63759147
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanamine?
The IUPAC name of [2,2-dimethyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanamine (CID 117019703) is [2,2-dimethyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [2,2-dimethyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanamine?
The canonical SMILES for [2,2-dimethyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanamine is CC1(C)C(CN)CCCN1Cc1cccnc1.
What is the InChIKey of [2,2-dimethyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanamine?
The InChIKey is ANKDBEGOJPRWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2)13(9-15)6-4-8-17(14)11-12-5-3-7-16-10-12/h3,5,7,10,13H,4,6,8-9,11,15H2,1-2H3.
What are the key properties of [2,2-dimethyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanamine?
[2,2-dimethyl-1-(pyridin-3-ylmethyl)piperidin-3-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-3-ylmethyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 117019703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).