2-(methylamino)-3-(3-propoxypiperidin-1-yl)propan-1-ol

C12H26N2O2 — CID 64827022

IUPAC2-(methylamino)-3-(3-propoxypiperidin-1-yl)propan-1-ol
SMILESCCCOC1CCCN(CC(CO)NC)C1
InChIInChI=1S/C12H26N2O2/c1-3-7-16-12-5-4-6-14(9-12)8-11(10-15)13-2/h11-13,15H,3-10H2,1-2H3
InChIKeyWRJJTSJWKQMUIW-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.46
Rot. Bonds7

About 2-(methylamino)-3-(3-propoxypiperidin-1-yl)propan-1-ol

2-(methylamino)-3-(3-propoxypiperidin-1-yl)propan-1-ol (PubChem CID 64827022) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(methylamino)-3-(3-propoxypiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-3-(3-propoxypiperidin-1-yl)propan-1-ol
PubChem CID64827022
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(methylamino)-3-(3-propoxypiperidin-1-yl)propan-1-ol
SMILESCCCOC1CCCN(CC(CO)NC)C1
InChIInChI=1S/C12H26N2O2/c1-3-7-16-12-5-4-6-14(9-12)8-11(10-15)13-2/h11-13,15H,3-10H2,1-2H3
InChIKeyWRJJTSJWKQMUIW-UHFFFAOYSA-N
XLogP0.46
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(methylamino)-3-(3-propoxypiperidin-1-yl)propan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-methoxypiperidin-1-yl)-N-methylpentan-2-amine
CID 102965544
N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
CID 55098092
3-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 102968981
2-methyl-2-(methylamino)-4-(3-propoxypiperidin-1-yl)butan-1-ol
CID 64827408
N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine
CID 62563284
N-(2-hydroxyethyl)-2-(3-propoxypiperidin-1-yl)acetamide
CID 54990386
1-[(3-propoxypiperidin-1-yl)methyl]cyclopentan-1-ol
CID 65213272
2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol
CID 114495488
2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid
CID 63075263
1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one
CID 107507196
N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine
CID 103069920
5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine
CID 62558297

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(3-propoxypiperidin-1-yl)propan-1-ol?
The IUPAC name of 2-(methylamino)-3-(3-propoxypiperidin-1-yl)propan-1-ol (CID 64827022) is 2-(methylamino)-3-(3-propoxypiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 2-(methylamino)-3-(3-propoxypiperidin-1-yl)propan-1-ol?
The canonical SMILES for 2-(methylamino)-3-(3-propoxypiperidin-1-yl)propan-1-ol is CCCOC1CCCN(CC(CO)NC)C1.
What is the InChIKey of 2-(methylamino)-3-(3-propoxypiperidin-1-yl)propan-1-ol?
The InChIKey is WRJJTSJWKQMUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-7-16-12-5-4-6-14(9-12)8-11(10-15)13-2/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 2-(methylamino)-3-(3-propoxypiperidin-1-yl)propan-1-ol?
2-(methylamino)-3-(3-propoxypiperidin-1-yl)propan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(3-propoxypiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 64827022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).