[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone

C14H21N3O2 — CID 106837578

IUPAC[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccnc(C(=O)N2CCC(C(C)O)CC2)c1
InChIInChI=1S/C14H21N3O2/c1-10(18)11-4-7-17(8-5-11)14(19)13-9-12(15-2)3-6-16-13/h3,6,9-11,18H,4-5,7-8H2,1-2H3,(H,15,16)
InChIKeyHLAYHTPWOCRJNT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.36
Rot. Bonds3

About [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone

[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone (PubChem CID 106837578) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
PubChem CID106837578
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccnc(C(=O)N2CCC(C(C)O)CC2)c1
InChIInChI=1S/C14H21N3O2/c1-10(18)11-4-7-17(8-5-11)14(19)13-9-12(15-2)3-6-16-13/h3,6,9-11,18H,4-5,7-8H2,1-2H3,(H,15,16)
InChIKeyHLAYHTPWOCRJNT-UHFFFAOYSA-N
XLogP1.36
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone 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 [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone?
The IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone (CID 106837578) is [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone.
What is the SMILES notation for [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone?
The canonical SMILES for [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone is CNc1ccnc(C(=O)N2CCC(C(C)O)CC2)c1.
What is the InChIKey of [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone?
The InChIKey is HLAYHTPWOCRJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(18)11-4-7-17(8-5-11)14(19)13-9-12(15-2)3-6-16-13/h3,6,9-11,18H,4-5,7-8H2,1-2H3,(H,15,16).
What are the key properties of [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone?
[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 106837578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).