1-propylpiperidine

C8H17N — CID 21644

IUPAC1-propylpiperidine
SMILESCCCN1CCCCC1
InChIInChI=1S/C8H17N/c1-2-6-9-7-4-3-5-8-9/h2-8H2,1H3
InChIKeyVTDIWMPYBAVEDY-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.88
Rot. Bonds2

About 1-propylpiperidine

1-propylpiperidine (PubChem CID 21644) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 1-propylpiperidine.

Molecular Properties

Compound Name1-propylpiperidine
PubChem CID21644
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name1-propylpiperidine
SMILESCCCN1CCCCC1
InChIInChI=1S/C8H17N/c1-2-6-9-7-4-3-5-8-9/h2-8H2,1H3
InChIKeyVTDIWMPYBAVEDY-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Mepiquat Chloride
CID 62781
N-Methylpiperidine
CID 12291
N-Ethylpiperidine
CID 13007
Triamylamine
CID 12133
Mepiquat
CID 18743
1,1-Dimethylpiperidinium iodide
CID 18742
1-Ethyl-1-methylpiperidinium iodide
CID 20153
1-Butyl-1-methylpiperidinium bromide
CID 19838382
1-Methyl-1-propylpiperidinium iodide
CID 60196387
Piperidine, 1,3,5-trimethyl-
CID 100164
1-Pentylpiperidine
CID 25153
1,2,6-Trimethylpiperidine
CID 107328

Frequently Asked Questions

What is the IUPAC name of 1-propylpiperidine?
The IUPAC name of 1-propylpiperidine (CID 21644) is 1-propylpiperidine.
What is the SMILES notation for 1-propylpiperidine?
The canonical SMILES for 1-propylpiperidine is CCCN1CCCCC1.
What is the InChIKey of 1-propylpiperidine?
The InChIKey is VTDIWMPYBAVEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-2-6-9-7-4-3-5-8-9/h2-8H2,1H3.
What are the key properties of 1-propylpiperidine?
1-propylpiperidine has a molecular weight of 127.23 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpiperidine is sourced from PubChem (CID 21644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).