3-propylpiperidine;hydrochloride

C8H18ClN — CID 69039931

IUPAC3-propylpiperidine;hydrochloride
SMILESCCCC1CCCNC1.Cl
InChIInChI=1S/C8H17N.ClH/c1-2-4-8-5-3-6-9-7-8;/h8-9H,2-7H2,1H3;1H
InChIKeyJVSYZZXLFAPVAI-UHFFFAOYSA-N
MW163.69 g/mol
LogP2.21
Rot. Bonds2

About 3-propylpiperidine;hydrochloride

3-propylpiperidine;hydrochloride (PubChem CID 69039931) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is 3-propylpiperidine;hydrochloride.

Molecular Properties

Compound Name3-propylpiperidine;hydrochloride
PubChem CID69039931
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC Name3-propylpiperidine;hydrochloride
SMILESCCCC1CCCNC1.Cl
InChIInChI=1S/C8H17N.ClH/c1-2-4-8-5-3-6-9-7-8;/h8-9H,2-7H2,1H3;1H
InChIKeyJVSYZZXLFAPVAI-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bis(2-ethylhexyl)amine
CID 7791
5-Ethyl-2-methylpiperidine
CID 7727
4-Propylpiperidine
CID 31169
3-Ethylpiperidine
CID 202966
2,3-Dimethylpiperidine
CID 95359
Piperidine, 4-(1,1-dimethylethyl)-
CID 74661
(2-Cyclohexylethyl)(methyl)amine
CID 43930
4-(Cyclohexylmethyl)piperidine
CID 98883
N-(2-Ethylhexyl)cyclohexanamine
CID 221524
Piperidine, 4-(1-methylethyl)-
CID 140569
3-(Propan-2-yl)piperidine
CID 541786
1,3-Propanediamine, N1-(2-ethylhexyl)-
CID 114486

Frequently Asked Questions

What is the IUPAC name of 3-propylpiperidine;hydrochloride?
The IUPAC name of 3-propylpiperidine;hydrochloride (CID 69039931) is 3-propylpiperidine;hydrochloride.
What is the SMILES notation for 3-propylpiperidine;hydrochloride?
The canonical SMILES for 3-propylpiperidine;hydrochloride is CCCC1CCCNC1.Cl.
What is the InChIKey of 3-propylpiperidine;hydrochloride?
The InChIKey is JVSYZZXLFAPVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.ClH/c1-2-4-8-5-3-6-9-7-8;/h8-9H,2-7H2,1H3;1H.
What are the key properties of 3-propylpiperidine;hydrochloride?
3-propylpiperidine;hydrochloride has a molecular weight of 163.69 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylpiperidine;hydrochloride is sourced from PubChem (CID 69039931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).