1-(3-butoxypropyl)-2-methylpiperidine;hydrochloride

C13H28ClNO — CID 3051270

IUPAC1-(3-butoxypropyl)-2-methylpiperidine;hydrochloride
SMILESCCCCOCCCN1CCCCC1C.Cl
InChIInChI=1S/C13H27NO.ClH/c1-3-4-11-15-12-7-10-14-9-6-5-8-13(14)2;/h13H,3-12H2,1-2H3;1H
InChIKeyQTNSPVKHZQPJKR-UHFFFAOYSA-N
MW249.83 g/mol
LogP3.49
Rot. Bonds7

About 1-(3-butoxypropyl)-2-methylpiperidine;hydrochloride

1-(3-butoxypropyl)-2-methylpiperidine;hydrochloride (PubChem CID 3051270) has the molecular formula C13H28ClNO and a molecular weight of 249.83 g/mol. Its IUPAC name is 1-(3-butoxypropyl)-2-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-(3-butoxypropyl)-2-methylpiperidine;hydrochloride
PubChem CID3051270
Molecular FormulaC13H28ClNO
Molecular Weight249.83 g/mol
Exact Mass249.19
IUPAC Name1-(3-butoxypropyl)-2-methylpiperidine;hydrochloride
SMILESCCCCOCCCN1CCCCC1C.Cl
InChIInChI=1S/C13H27NO.ClH/c1-3-4-11-15-12-7-10-14-9-6-5-8-13(14)2;/h13H,3-12H2,1-2H3;1H
InChIKeyQTNSPVKHZQPJKR-UHFFFAOYSA-N
XLogP3.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.83
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypropyl)-2-methylpiperidine;hydrochloride?
The IUPAC name of 1-(3-butoxypropyl)-2-methylpiperidine;hydrochloride (CID 3051270) is 1-(3-butoxypropyl)-2-methylpiperidine;hydrochloride.
What is the SMILES notation for 1-(3-butoxypropyl)-2-methylpiperidine;hydrochloride?
The canonical SMILES for 1-(3-butoxypropyl)-2-methylpiperidine;hydrochloride is CCCCOCCCN1CCCCC1C.Cl.
What is the InChIKey of 1-(3-butoxypropyl)-2-methylpiperidine;hydrochloride?
The InChIKey is QTNSPVKHZQPJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO.ClH/c1-3-4-11-15-12-7-10-14-9-6-5-8-13(14)2;/h13H,3-12H2,1-2H3;1H.
What are the key properties of 1-(3-butoxypropyl)-2-methylpiperidine;hydrochloride?
1-(3-butoxypropyl)-2-methylpiperidine;hydrochloride has a molecular weight of 249.83 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropyl)-2-methylpiperidine;hydrochloride is sourced from PubChem (CID 3051270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).