1-butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride

C14H30ClNO2 — CID 16958271

IUPAC1-butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCCCCOCC(O)CN1CC(C)CC(C)C1.Cl
InChIInChI=1S/C14H29NO2.ClH/c1-4-5-6-17-11-14(16)10-15-8-12(2)7-13(3)9-15;/h12-14,16H,4-11H2,1-3H3;1H
InChIKeyQCPRRQPJIQSICG-UHFFFAOYSA-N
MW279.85 g/mol
LogP2.56
Rot. Bonds7

About 1-butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride

1-butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride (PubChem CID 16958271) has the molecular formula C14H30ClNO2 and a molecular weight of 279.85 g/mol. Its IUPAC name is 1-butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride
PubChem CID16958271
Molecular FormulaC14H30ClNO2
Molecular Weight279.85 g/mol
Exact Mass279.20
IUPAC Name1-butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCCCCOCC(O)CN1CC(C)CC(C)C1.Cl
InChIInChI=1S/C14H29NO2.ClH/c1-4-5-6-17-11-14(16)10-15-8-12(2)7-13(3)9-15;/h12-14,16H,4-11H2,1-3H3;1H
InChIKeyQCPRRQPJIQSICG-UHFFFAOYSA-N
XLogP2.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.85
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride 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-butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride (CID 16958271) is 1-butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride is CCCCOCC(O)CN1CC(C)CC(C)C1.Cl.
What is the InChIKey of 1-butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is QCPRRQPJIQSICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2.ClH/c1-4-5-6-17-11-14(16)10-15-8-12(2)7-13(3)9-15;/h12-14,16H,4-11H2,1-3H3;1H.
What are the key properties of 1-butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride?
1-butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 279.85 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 16958271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).