(1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol

C15H25N3O — CID 103938300

IUPAC(1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(N(C)C2CCN(C)CC2)cn1
InChIInChI=1S/C15H25N3O/c1-4-15(19)14-6-5-13(11-16-14)18(3)12-7-9-17(2)10-8-12/h5-6,11-12,15,19H,4,7-10H2,1-3H3/t15-/m0/s1
InChIKeyBWRWKNHEZWWPDD-HNNXBMFYSA-N
MW263.38 g/mol
LogP2.06
Rot. Bonds4

About (1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol

(1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol (PubChem CID 103938300) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol
PubChem CID103938300
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(N(C)C2CCN(C)CC2)cn1
InChIInChI=1S/C15H25N3O/c1-4-15(19)14-6-5-13(11-16-14)18(3)12-7-9-17(2)10-8-12/h5-6,11-12,15,19H,4,7-10H2,1-3H3/t15-/m0/s1
InChIKeyBWRWKNHEZWWPDD-HNNXBMFYSA-N
XLogP2.06
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-[cyclopropyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 103938348
1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 112585300
(1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol
CID 103938894
(1S)-1-[5-[methyl(thiolan-3-yl)amino]-2-pyridinyl]propan-1-ol
CID 113355290
1-[5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-pyridinyl]ethanol
CID 83132165
(1R)-1-[5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938756
1-[5-[cyclopentyl(ethyl)amino]-2-pyridinyl]propan-1-ol
CID 112585280
(1R)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938804
(1R)-1-[5-[cyclopropyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 113355348
(1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938569
(1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 103938697
1-[5-[cyclopentyl(methyl)amino]-2-pyridinyl]ethanol
CID 83131595

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol (CID 103938300) is (1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol is CC[C@H](O)c1ccc(N(C)C2CCN(C)CC2)cn1.
What is the InChIKey of (1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol?
The InChIKey is BWRWKNHEZWWPDD-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-15(19)14-6-5-13(11-16-14)18(3)12-7-9-17(2)10-8-12/h5-6,11-12,15,19H,4,7-10H2,1-3H3/t15-/m0/s1.
What are the key properties of (1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol?
(1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103938300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).