2-[(E)-5-fluorohept-5-en-2-yl]-6-(1-methylcyclopentyl)piperidine

C18H32FN — CID 129194100

IUPAC2-[(E)-5-fluorohept-5-en-2-yl]-6-(1-methylcyclopentyl)piperidine
SMILESC/C=C(/F)CCC(C)C1CCCC(C2(C)CCCC2)N1
InChIInChI=1S/C18H32FN/c1-4-15(19)11-10-14(2)16-8-7-9-17(20-16)18(3)12-5-6-13-18/h4,14,16-17,20H,5-13H2,1-3H3/b15-4+
InChIKeyRXCCERZXEKVLGE-SYZQJQIISA-N
MW281.46 g/mol
LogP5.37
Rot. Bonds5

About 2-[(E)-5-fluorohept-5-en-2-yl]-6-(1-methylcyclopentyl)piperidine

2-[(E)-5-fluorohept-5-en-2-yl]-6-(1-methylcyclopentyl)piperidine (PubChem CID 129194100) has the molecular formula C18H32FN and a molecular weight of 281.46 g/mol. Its IUPAC name is 2-[(E)-5-fluorohept-5-en-2-yl]-6-(1-methylcyclopentyl)piperidine.

Molecular Properties

Compound Name2-[(E)-5-fluorohept-5-en-2-yl]-6-(1-methylcyclopentyl)piperidine
PubChem CID129194100
Molecular FormulaC18H32FN
Molecular Weight281.46 g/mol
Exact Mass281.25
IUPAC Name2-[(E)-5-fluorohept-5-en-2-yl]-6-(1-methylcyclopentyl)piperidine
SMILESC/C=C(/F)CCC(C)C1CCCC(C2(C)CCCC2)N1
InChIInChI=1S/C18H32FN/c1-4-15(19)11-10-14(2)16-8-7-9-17(20-16)18(3)12-5-6-13-18/h4,14,16-17,20H,5-13H2,1-3H3/b15-4+
InChIKeyRXCCERZXEKVLGE-SYZQJQIISA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.46
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine
CID 71165840
4-(6-Fluoro-6-methylnon-8-enyl)-4-propylpiperidine
CID 91189069
(E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine
CID 135278063
(E)-N-(4,4-dimethylhexan-2-yl)-5-fluoro-3,3-dimethylhex-4-en-1-amine
CID 139323765
6-cyclohexyl-4-(4-fluorocyclohexyl)-2-propan-2-yl-3-[(E)-prop-1-enyl]piperidine
CID 140422236
4-tert-butyl-N-(2-fluoropropyl)cyclohex-3-en-1-amine
CID 164769231
(1S)-4-tert-butyl-N-(1-fluoropropan-2-yl)cyclohex-3-en-1-amine
CID 167068199
(1R)-4-tert-butyl-N-(2-fluoroethyl)cyclohex-3-en-1-amine
CID 167068204
(1R)-4-tert-butyl-N-(1-fluoropropan-2-yl)cyclohex-3-en-1-amine
CID 167068207
(1S)-4-tert-butyl-N-(2-fluoropropyl)cyclohex-3-en-1-amine
CID 167068254
4-tert-butyl-N-(2-fluoroethyl)cyclohex-3-en-1-amine
CID 167068269
4-tert-butyl-N-(1-fluoropropan-2-yl)cyclohex-3-en-1-amine
CID 167068271

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5-fluorohept-5-en-2-yl]-6-(1-methylcyclopentyl)piperidine?
The IUPAC name of 2-[(E)-5-fluorohept-5-en-2-yl]-6-(1-methylcyclopentyl)piperidine (CID 129194100) is 2-[(E)-5-fluorohept-5-en-2-yl]-6-(1-methylcyclopentyl)piperidine.
What is the SMILES notation for 2-[(E)-5-fluorohept-5-en-2-yl]-6-(1-methylcyclopentyl)piperidine?
The canonical SMILES for 2-[(E)-5-fluorohept-5-en-2-yl]-6-(1-methylcyclopentyl)piperidine is C/C=C(/F)CCC(C)C1CCCC(C2(C)CCCC2)N1.
What is the InChIKey of 2-[(E)-5-fluorohept-5-en-2-yl]-6-(1-methylcyclopentyl)piperidine?
The InChIKey is RXCCERZXEKVLGE-SYZQJQIISA-N. The full InChI is InChI=1S/C18H32FN/c1-4-15(19)11-10-14(2)16-8-7-9-17(20-16)18(3)12-5-6-13-18/h4,14,16-17,20H,5-13H2,1-3H3/b15-4+.
What are the key properties of 2-[(E)-5-fluorohept-5-en-2-yl]-6-(1-methylcyclopentyl)piperidine?
2-[(E)-5-fluorohept-5-en-2-yl]-6-(1-methylcyclopentyl)piperidine has a molecular weight of 281.46 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-fluorohept-5-en-2-yl]-6-(1-methylcyclopentyl)piperidine is sourced from PubChem (CID 129194100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).