(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).