4-[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1-propylpyrrol-3-yl]piperidine

C17H26N2 — CID 167179416

IUPAC4-[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1-propylpyrrol-3-yl]piperidine
SMILESC=c1/c(=C\C=C/C)c(C2CCNCC2)cn1CCC
InChIInChI=1S/C17H26N2/c1-4-6-7-16-14(3)19(12-5-2)13-17(16)15-8-10-18-11-9-15/h4,6-7,13,15,18H,3,5,8-12H2,1-2H3/b6-4-,16-7+
InChIKeyCFCOHDOXSXSMRK-LRPNAGJPSA-N
MW258.41 g/mol
LogP2.13
Rot. Bonds4

About 4-[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1-propylpyrrol-3-yl]piperidine

4-[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1-propylpyrrol-3-yl]piperidine (PubChem CID 167179416) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1-propylpyrrol-3-yl]piperidine.

Molecular Properties

Compound Name4-[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1-propylpyrrol-3-yl]piperidine
PubChem CID167179416
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name4-[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1-propylpyrrol-3-yl]piperidine
SMILESC=c1/c(=C\C=C/C)c(C2CCNCC2)cn1CCC
InChIInChI=1S/C17H26N2/c1-4-6-7-16-14(3)19(12-5-2)13-17(16)15-8-10-18-11-9-15/h4,6-7,13,15,18H,3,5,8-12H2,1-2H3/b6-4-,16-7+
InChIKeyCFCOHDOXSXSMRK-LRPNAGJPSA-N
XLogP2.13
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Octahydro 4,4'-bipyridyl
CID 4867470
N-[(5Z,6E)-3-[(E)-6-amino-6-fluoro-5-methylhex-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085395
N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(fluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085543
5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine
CID 123278977
4-[4-(3-Fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine
CID 123309603
5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole
CID 123995432
[2-Ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine
CID 134581918
(2E)-3-[(3E)-3-[1-[(4,4-difluorocyclohexyl)methyl]-3H-pyrrol-2-ylidene]prop-1-en-2-yl]-N,4-dimethylpenta-2,4-dien-2-amine
CID 135294948
1-[5-[[(5E)-1-[2-[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidene-5-prop-2-enylidenepyrrol-3-yl]methyl]cyclohepta-1,3,6-trien-1-yl]-N-methylmethanamine
CID 144880012
5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 145128277
6-(1,1-Difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole
CID 146409781
(3Z)-5-[(3Z,5E)-6-(1H-azirin-2-yl)-3-(1-fluoroethenyl)-4-methylhepta-3,5-dien-2-yl]-3-[(Z)-but-2-enylidene]-4-propyl-1,2-dihydropyrrole
CID 155062495

Frequently Asked Questions

What is the IUPAC name of 4-[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1-propylpyrrol-3-yl]piperidine?
The IUPAC name of 4-[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1-propylpyrrol-3-yl]piperidine (CID 167179416) is 4-[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1-propylpyrrol-3-yl]piperidine.
What is the SMILES notation for 4-[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1-propylpyrrol-3-yl]piperidine?
The canonical SMILES for 4-[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1-propylpyrrol-3-yl]piperidine is C=c1/c(=C\C=C/C)c(C2CCNCC2)cn1CCC.
What is the InChIKey of 4-[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1-propylpyrrol-3-yl]piperidine?
The InChIKey is CFCOHDOXSXSMRK-LRPNAGJPSA-N. The full InChI is InChI=1S/C17H26N2/c1-4-6-7-16-14(3)19(12-5-2)13-17(16)15-8-10-18-11-9-15/h4,6-7,13,15,18H,3,5,8-12H2,1-2H3/b6-4-,16-7+.
What are the key properties of 4-[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1-propylpyrrol-3-yl]piperidine?
4-[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1-propylpyrrol-3-yl]piperidine has a molecular weight of 258.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-1-propylpyrrol-3-yl]piperidine is sourced from PubChem (CID 167179416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).