3-pentyl-3-(3-piperidin-1-ylprop-2-enyl)piperidine

C18H34N2 — CID 173241057

IUPAC3-pentyl-3-(3-piperidin-1-ylprop-2-enyl)piperidine
SMILESCCCCCC1(CC=CN2CCCCC2)CCCNC1
InChIInChI=1S/C18H34N2/c1-2-3-5-10-18(11-8-13-19-17-18)12-9-16-20-14-6-4-7-15-20/h9,16,19H,2-8,10-15,17H2,1H3
InChIKeyQVYNGTBYYAUBNL-UHFFFAOYSA-N
MW278.48 g/mol
LogP4.33
Rot. Bonds7

About 3-pentyl-3-(3-piperidin-1-ylprop-2-enyl)piperidine

3-pentyl-3-(3-piperidin-1-ylprop-2-enyl)piperidine (PubChem CID 173241057) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 3-pentyl-3-(3-piperidin-1-ylprop-2-enyl)piperidine.

Molecular Properties

Compound Name3-pentyl-3-(3-piperidin-1-ylprop-2-enyl)piperidine
PubChem CID173241057
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name3-pentyl-3-(3-piperidin-1-ylprop-2-enyl)piperidine
SMILESCCCCCC1(CC=CN2CCCCC2)CCCNC1
InChIInChI=1S/C18H34N2/c1-2-3-5-10-18(11-8-13-19-17-18)12-9-16-20-14-6-4-7-15-20/h9,16,19H,2-8,10-15,17H2,1H3
InChIKeyQVYNGTBYYAUBNL-UHFFFAOYSA-N
XLogP4.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-dipentylcyclononane
CID 169026027
1-dodec-1-enylpiperidine
CID 54388072
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487
1-[(3-ethylpiperidin-3-yl)methyl]azocane
CID 55166633
3,3-dimethyl-2-pentyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117016617
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670
1-(chloromethyl)-1-pentylcyclohexane
CID 66036692
(1-hexylcyclohexyl)methanol
CID 66024993
3,6-diethyl-3-hexyl-6-pentylazepane
CID 59903813
N-methyl-1-(1-pentylcyclohexyl)methanamine
CID 62725569

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-3-(3-piperidin-1-ylprop-2-enyl)piperidine?
The IUPAC name of 3-pentyl-3-(3-piperidin-1-ylprop-2-enyl)piperidine (CID 173241057) is 3-pentyl-3-(3-piperidin-1-ylprop-2-enyl)piperidine.
What is the SMILES notation for 3-pentyl-3-(3-piperidin-1-ylprop-2-enyl)piperidine?
The canonical SMILES for 3-pentyl-3-(3-piperidin-1-ylprop-2-enyl)piperidine is CCCCCC1(CC=CN2CCCCC2)CCCNC1.
What is the InChIKey of 3-pentyl-3-(3-piperidin-1-ylprop-2-enyl)piperidine?
The InChIKey is QVYNGTBYYAUBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-2-3-5-10-18(11-8-13-19-17-18)12-9-16-20-14-6-4-7-15-20/h9,16,19H,2-8,10-15,17H2,1H3.
What are the key properties of 3-pentyl-3-(3-piperidin-1-ylprop-2-enyl)piperidine?
3-pentyl-3-(3-piperidin-1-ylprop-2-enyl)piperidine has a molecular weight of 278.48 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-3-(3-piperidin-1-ylprop-2-enyl)piperidine is sourced from PubChem (CID 173241057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).