[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperidin-3-yl]methanol

C14H23N3O — CID 81050851

IUPAC[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperidin-3-yl]methanol
SMILESCc1cc(N2CCCC(CO)C2)c(CN)c(C)n1
InChIInChI=1S/C14H23N3O/c1-10-6-14(13(7-15)11(2)16-10)17-5-3-4-12(8-17)9-18/h6,12,18H,3-5,7-9,15H2,1-2H3
InChIKeyZZCQJCKVECBFGX-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.37
Rot. Bonds3

About [1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperidin-3-yl]methanol

[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperidin-3-yl]methanol (PubChem CID 81050851) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperidin-3-yl]methanol
PubChem CID81050851
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperidin-3-yl]methanol
SMILESCc1cc(N2CCCC(CO)C2)c(CN)c(C)n1
InChIInChI=1S/C14H23N3O/c1-10-6-14(13(7-15)11(2)16-10)17-5-3-4-12(8-17)9-18/h6,12,18H,3-5,7-9,15H2,1-2H3
InChIKeyZZCQJCKVECBFGX-UHFFFAOYSA-N
XLogP1.37
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperidin-3-yl]methanol (CID 81050851) is [1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperidin-3-yl]methanol is Cc1cc(N2CCCC(CO)C2)c(CN)c(C)n1.
What is the InChIKey of [1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperidin-3-yl]methanol?
The InChIKey is ZZCQJCKVECBFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-6-14(13(7-15)11(2)16-10)17-5-3-4-12(8-17)9-18/h6,12,18H,3-5,7-9,15H2,1-2H3.
What are the key properties of [1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperidin-3-yl]methanol?
[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperidin-3-yl]methanol has a molecular weight of 249.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperidin-3-yl]methanol is sourced from PubChem (CID 81050851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).