2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol

C14H23N3O — CID 65034705

IUPAC2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol
SMILESCC(CO)CNC1CCN(c2ccncc2)CC1
InChIInChI=1S/C14H23N3O/c1-12(11-18)10-16-13-4-8-17(9-5-13)14-2-6-15-7-3-14/h2-3,6-7,12-13,16,18H,4-5,8-11H2,1H3
InChIKeyLVBHXJQLDPCTFK-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.27
Rot. Bonds5

About 2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol

2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol (PubChem CID 65034705) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol
PubChem CID65034705
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol
SMILESCC(CO)CNC1CCN(c2ccncc2)CC1
InChIInChI=1S/C14H23N3O/c1-12(11-18)10-16-13-4-8-17(9-5-13)14-2-6-15-7-3-14/h2-3,6-7,12-13,16,18H,4-5,8-11H2,1H3
InChIKeyLVBHXJQLDPCTFK-UHFFFAOYSA-N
XLogP1.27
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol with MolForge

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Related Compounds

N-(cyclopropylmethyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166652
N-(4-methylpentan-2-yl)-1-pyridin-4-ylpiperidin-4-amine
CID 43371759
N-[(2-methylcyclopropyl)methyl]-1-pyridin-4-ylpiperidin-4-amine
CID 113463722
1-(1-pyridin-4-ylpiperidin-4-yl)propan-1-ol
CID 18918443
2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol
CID 65108384
2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethylurea
CID 83110952
3-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]pentan-1-ol
CID 106172761
N'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine
CID 60895619
N'-ethyl-N'-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)ethane-1,2-diamine
CID 55097459
N-(3-ethoxypropyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166978
1-pyridin-4-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43343794
2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
CID 65034212

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol (CID 65034705) is 2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol is CC(CO)CNC1CCN(c2ccncc2)CC1.
What is the InChIKey of 2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol?
The InChIKey is LVBHXJQLDPCTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12(11-18)10-16-13-4-8-17(9-5-13)14-2-6-15-7-3-14/h2-3,6-7,12-13,16,18H,4-5,8-11H2,1H3.
What are the key properties of 2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol?
2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 65034705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).