1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-3-ol

C14H23N3O — CID 103182597

IUPAC1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-3-ol
SMILESCc1cnc(CN2CCCC(C)(O)C2)c(C)c1N
InChIInChI=1S/C14H23N3O/c1-10-7-16-12(11(2)13(10)15)8-17-6-4-5-14(3,18)9-17/h7,18H,4-6,8-9H2,1-3H3,(H2,15,16)
InChIKeyXPZUAKZDYPSPAF-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.63
Rot. Bonds2

About 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-3-ol

1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-3-ol (PubChem CID 103182597) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-3-ol
PubChem CID103182597
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-3-ol
SMILESCc1cnc(CN2CCCC(C)(O)C2)c(C)c1N
InChIInChI=1S/C14H23N3O/c1-10-7-16-12(11(2)13(10)15)8-17-6-4-5-14(3,18)9-17/h7,18H,4-6,8-9H2,1-3H3,(H2,15,16)
InChIKeyXPZUAKZDYPSPAF-UHFFFAOYSA-N
XLogP1.63
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-3-ol (CID 103182597) is 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-3-ol is Cc1cnc(CN2CCCC(C)(O)C2)c(C)c1N.
What is the InChIKey of 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-3-ol?
The InChIKey is XPZUAKZDYPSPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-7-16-12(11(2)13(10)15)8-17-6-4-5-14(3,18)9-17/h7,18H,4-6,8-9H2,1-3H3,(H2,15,16).
What are the key properties of 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-3-ol?
1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-3-ol has a molecular weight of 249.36 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 103182597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).