[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol

C19H30N2O3 — CID 70711017

IUPAC[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
SMILESCOc1ccnc(CN2CCCC(CO)(CC=C(C)C)C2)c1OC
InChIInChI=1S/C19H30N2O3/c1-15(2)6-9-19(14-22)8-5-11-21(13-19)12-16-18(24-4)17(23-3)7-10-20-16/h6-7,10,22H,5,8-9,11-14H2,1-4H3
InChIKeyGQAJTGQXUBIIMG-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.03
Rot. Bonds7

About [1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol

[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol (PubChem CID 70711017) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is [1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
PubChem CID70711017
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
SMILESCOc1ccnc(CN2CCCC(CO)(CC=C(C)C)C2)c1OC
InChIInChI=1S/C19H30N2O3/c1-15(2)6-9-19(14-22)8-5-11-21(13-19)12-16-18(24-4)17(23-3)7-10-20-16/h6-7,10,22H,5,8-9,11-14H2,1-4H3
InChIKeyGQAJTGQXUBIIMG-UHFFFAOYSA-N
XLogP3.03
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol 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 [1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol?
The IUPAC name of [1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol (CID 70711017) is [1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol is COc1ccnc(CN2CCCC(CO)(CC=C(C)C)C2)c1OC.
What is the InChIKey of [1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol?
The InChIKey is GQAJTGQXUBIIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-15(2)6-9-19(14-22)8-5-11-21(13-19)12-16-18(24-4)17(23-3)7-10-20-16/h6-7,10,22H,5,8-9,11-14H2,1-4H3.
What are the key properties of [1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol?
[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol has a molecular weight of 334.46 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol is sourced from PubChem (CID 70711017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).