1-pentylpiperidine;prop-1-ene

C13H27N — CID 174775307

IUPAC1-pentylpiperidine;prop-1-ene
SMILESC=CC.CCCCCN1CCCCC1
InChIInChI=1S/C10H21N.C3H6/c1-2-3-5-8-11-9-6-4-7-10-11;1-3-2/h2-10H2,1H3;3H,1H2,2H3
InChIKeyGFWLPLPBAVHTES-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.85
Rot. Bonds4

About 1-pentylpiperidine;prop-1-ene

1-pentylpiperidine;prop-1-ene (PubChem CID 174775307) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-pentylpiperidine;prop-1-ene.

Molecular Properties

Compound Name1-pentylpiperidine;prop-1-ene
PubChem CID174775307
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-pentylpiperidine;prop-1-ene
SMILESC=CC.CCCCCN1CCCCC1
InChIInChI=1S/C10H21N.C3H6/c1-2-3-5-8-11-9-6-4-7-10-11;1-3-2/h2-10H2,1H3;3H,1H2,2H3
InChIKeyGFWLPLPBAVHTES-UHFFFAOYSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-decylpiperidine
CID 4649960
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
1-tetradecylpiperidine;hydrochloride
CID 71325293
CID 162323144
CID 162323144
ethane;1-nonylpiperidine
CID 177011009
1-butylpiperidine;hexane;1-hexylpiperidine
CID 156727490
prop-1-ene;1-propylpyrrolidine
CID 143531885
1-heptylazetidine
CID 134402356
1-tridecylpiperidine tetrafluoroborate
CID 174702126
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
1-pentylpiperidine;pyrrolidine
CID 69027489

Frequently Asked Questions

What is the IUPAC name of 1-pentylpiperidine;prop-1-ene?
The IUPAC name of 1-pentylpiperidine;prop-1-ene (CID 174775307) is 1-pentylpiperidine;prop-1-ene.
What is the SMILES notation for 1-pentylpiperidine;prop-1-ene?
The canonical SMILES for 1-pentylpiperidine;prop-1-ene is C=CC.CCCCCN1CCCCC1.
What is the InChIKey of 1-pentylpiperidine;prop-1-ene?
The InChIKey is GFWLPLPBAVHTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C3H6/c1-2-3-5-8-11-9-6-4-7-10-11;1-3-2/h2-10H2,1H3;3H,1H2,2H3.
What are the key properties of 1-pentylpiperidine;prop-1-ene?
1-pentylpiperidine;prop-1-ene has a molecular weight of 197.37 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylpiperidine;prop-1-ene is sourced from PubChem (CID 174775307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).