2-propylpiperidine

C8H17N — CID 9985

IUPAC2-propylpiperidine
SMILESCCCC1CCCCN1
InChIInChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3
InChIKeyNDNUANOUGZGEPO-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.93
Rot. Bonds2

About 2-propylpiperidine

2-propylpiperidine (PubChem CID 9985) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2-propylpiperidine.

Molecular Properties

Compound Name2-propylpiperidine
PubChem CID9985
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2-propylpiperidine
SMILESCCCC1CCCCN1
InChIInChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3
InChIKeyNDNUANOUGZGEPO-UHFFFAOYSA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methylpiperidine
CID 7974
(+)-Coniine
CID 441072
Nanofin
CID 68843
N-Ethyl cyclohexylamine
CID 21609
Cyclohexylisopropylamine
CID 62386
5-Ethyl-2-methylpiperidine
CID 7727
rel-(2R,6S)-2,6-Dimethylpiperidine
CID 641768
2-Ethylpiperidine
CID 94205
2,6-Dimethylpiperidine hydrochloride
CID 199821
Coniine Hydrochloride
CID 12303861
N-Butyl cyclohexylamine
CID 24946
cis-Nanophine hydrochloride
CID 6420071

Frequently Asked Questions

What is the IUPAC name of 2-propylpiperidine?
The IUPAC name of 2-propylpiperidine (CID 9985) is 2-propylpiperidine.
What is the SMILES notation for 2-propylpiperidine?
The canonical SMILES for 2-propylpiperidine is CCCC1CCCCN1.
What is the InChIKey of 2-propylpiperidine?
The InChIKey is NDNUANOUGZGEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-propylpiperidine?
2-propylpiperidine has a molecular weight of 127.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylpiperidine is sourced from PubChem (CID 9985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).