(1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol

C14H23N3O — CID 114055774

IUPAC(1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol
SMILESC[C@H](O)c1cccnc1N(C)C1CCN(C)CC1
InChIInChI=1S/C14H23N3O/c1-11(18)13-5-4-8-15-14(13)17(3)12-6-9-16(2)10-7-12/h4-5,8,11-12,18H,6-7,9-10H2,1-3H3/t11-/m0/s1
InChIKeyVPJOOAUAJXIGMT-NSHDSACASA-N
MW249.36 g/mol
LogP1.67
Rot. Bonds3

About (1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol

(1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol (PubChem CID 114055774) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol
PubChem CID114055774
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol
SMILESC[C@H](O)c1cccnc1N(C)C1CCN(C)CC1
InChIInChI=1S/C14H23N3O/c1-11(18)13-5-4-8-15-14(13)17(3)12-6-9-16(2)10-7-12/h4-5,8,11-12,18H,6-7,9-10H2,1-3H3/t11-/m0/s1
InChIKeyVPJOOAUAJXIGMT-NSHDSACASA-N
XLogP1.67
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol
CID 114055853
(1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol
CID 114056124
3-bromo-N,4-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 106876520
1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol
CID 114056274
N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 62279254
1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol
CID 43505995
N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide
CID 114055994
(1S)-1-[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]ethanol
CID 114055895
2-N-cyclopropyl-2-N-methylpyridine-2,3-diamine
CID 43264702
(1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol
CID 114056189
(1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol
CID 114056037
(1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol
CID 103938300

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol (CID 114055774) is (1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol is C[C@H](O)c1cccnc1N(C)C1CCN(C)CC1.
What is the InChIKey of (1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol?
The InChIKey is VPJOOAUAJXIGMT-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(18)13-5-4-8-15-14(13)17(3)12-6-9-16(2)10-7-12/h4-5,8,11-12,18H,6-7,9-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol?
(1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol has a molecular weight of 249.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol is sourced from PubChem (CID 114055774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).