1-[1-[5-(methylamino)-3-pyridinyl]piperidin-2-yl]propan-2-ol

C14H23N3O — CID 112748835

IUPAC1-[1-[5-(methylamino)-3-pyridinyl]piperidin-2-yl]propan-2-ol
SMILESCNc1cncc(N2CCCCC2CC(C)O)c1
InChIInChI=1S/C14H23N3O/c1-11(18)7-13-5-3-4-6-17(13)14-8-12(15-2)9-16-10-14/h8-11,13,15,18H,3-7H2,1-2H3
InChIKeyJBNPKRVHKFSHPX-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.25
Rot. Bonds4

About 1-[1-[5-(methylamino)-3-pyridinyl]piperidin-2-yl]propan-2-ol

1-[1-[5-(methylamino)-3-pyridinyl]piperidin-2-yl]propan-2-ol (PubChem CID 112748835) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[1-[5-(methylamino)-3-pyridinyl]piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[5-(methylamino)-3-pyridinyl]piperidin-2-yl]propan-2-ol
PubChem CID112748835
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[1-[5-(methylamino)-3-pyridinyl]piperidin-2-yl]propan-2-ol
SMILESCNc1cncc(N2CCCCC2CC(C)O)c1
InChIInChI=1S/C14H23N3O/c1-11(18)7-13-5-3-4-6-17(13)14-8-12(15-2)9-16-10-14/h8-11,13,15,18H,3-7H2,1-2H3
InChIKeyJBNPKRVHKFSHPX-UHFFFAOYSA-N
XLogP2.25
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-ethylazepan-1-yl)-N-methylpyridin-3-amine
CID 113442062
N-methyl-5-(2-methylpiperidin-1-yl)pyridin-3-amine
CID 104532444
1-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]propan-2-ol
CID 112748394
1-(1-pyrimidin-4-ylazepan-2-yl)propan-2-ol
CID 112748409
N-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535677
5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 109239784
(3S)-1-[5-(methylamino)-3-pyridinyl]pyrrolidin-3-ol
CID 124569646
(2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
CID 124850219
N-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-3-amine
CID 104534506
1-[1-(5-chloro-2-hydrazinylpyrimidin-4-yl)azepan-2-yl]propan-2-ol
CID 112748846
N-cyclopentyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109225954
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338091

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(methylamino)-3-pyridinyl]piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[5-(methylamino)-3-pyridinyl]piperidin-2-yl]propan-2-ol (CID 112748835) is 1-[1-[5-(methylamino)-3-pyridinyl]piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[5-(methylamino)-3-pyridinyl]piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[5-(methylamino)-3-pyridinyl]piperidin-2-yl]propan-2-ol is CNc1cncc(N2CCCCC2CC(C)O)c1.
What is the InChIKey of 1-[1-[5-(methylamino)-3-pyridinyl]piperidin-2-yl]propan-2-ol?
The InChIKey is JBNPKRVHKFSHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(18)7-13-5-3-4-6-17(13)14-8-12(15-2)9-16-10-14/h8-11,13,15,18H,3-7H2,1-2H3.
What are the key properties of 1-[1-[5-(methylamino)-3-pyridinyl]piperidin-2-yl]propan-2-ol?
1-[1-[5-(methylamino)-3-pyridinyl]piperidin-2-yl]propan-2-ol has a molecular weight of 249.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(methylamino)-3-pyridinyl]piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 112748835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).