3-butyl-1-decylpiperidine;hydrochloride

C19H40ClN — CID 175874858

IUPAC3-butyl-1-decylpiperidine;hydrochloride
SMILESCCCCCCCCCCN1CCCC(CCCC)C1.Cl
InChIInChI=1S/C19H39N.ClH/c1-3-5-7-8-9-10-11-12-16-20-17-13-15-19(18-20)14-6-4-2;/h19H,3-18H2,1-2H3;1H
InChIKeyZMVZXRWPLFPMEO-UHFFFAOYSA-N
MW317.99 g/mol
LogP6.45
Rot. Bonds12

About 3-butyl-1-decylpiperidine;hydrochloride

3-butyl-1-decylpiperidine;hydrochloride (PubChem CID 175874858) has the molecular formula C19H40ClN and a molecular weight of 317.99 g/mol. Its IUPAC name is 3-butyl-1-decylpiperidine;hydrochloride.

Molecular Properties

Compound Name3-butyl-1-decylpiperidine;hydrochloride
PubChem CID175874858
Molecular FormulaC19H40ClN
Molecular Weight317.99 g/mol
Exact Mass317.28
IUPAC Name3-butyl-1-decylpiperidine;hydrochloride
SMILESCCCCCCCCCCN1CCCC(CCCC)C1.Cl
InChIInChI=1S/C19H39N.ClH/c1-3-5-7-8-9-10-11-12-16-20-17-13-15-19(18-20)14-6-4-2;/h19H,3-18H2,1-2H3;1H
InChIKeyZMVZXRWPLFPMEO-UHFFFAOYSA-N
XLogP6.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.99
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-1-dodecylpiperidine
CID 171569666
1,3-di(tridecyl)piperidine
CID 162511834
3-butyl-1-pentylpiperidine;formonitrile
CID 175874905
3-butyl-1-hexylpyrrolidine
CID 171570679
2-(1-heptylpiperidin-3-yl)ethanamine
CID 63764597
3-butyl-1-dodecylpyrrolidine;hydrofluoride
CID 175874831
3-ethyl-1-heptylpiperidine
CID 171569576
3-(2-bromoethyl)-1-pentylpiperidine
CID 80690908
3-butyl-1-pentylpiperidine;trifluoromethanesulfonic acid
CID 175874954
1-octyl-3-propylpyrrolidine;hydrochloride
CID 175874915
3-(bromomethyl)-1-pentylpiperidine
CID 80679758
2-(1-decylpiperidin-3-yl)acetic acid
CID 62689590

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-decylpiperidine;hydrochloride?
The IUPAC name of 3-butyl-1-decylpiperidine;hydrochloride (CID 175874858) is 3-butyl-1-decylpiperidine;hydrochloride.
What is the SMILES notation for 3-butyl-1-decylpiperidine;hydrochloride?
The canonical SMILES for 3-butyl-1-decylpiperidine;hydrochloride is CCCCCCCCCCN1CCCC(CCCC)C1.Cl.
What is the InChIKey of 3-butyl-1-decylpiperidine;hydrochloride?
The InChIKey is ZMVZXRWPLFPMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N.ClH/c1-3-5-7-8-9-10-11-12-16-20-17-13-15-19(18-20)14-6-4-2;/h19H,3-18H2,1-2H3;1H.
What are the key properties of 3-butyl-1-decylpiperidine;hydrochloride?
3-butyl-1-decylpiperidine;hydrochloride has a molecular weight of 317.99 g/mol, XLogP of 6.45, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-decylpiperidine;hydrochloride is sourced from PubChem (CID 175874858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).