4-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-1-methylpiperidine

C14H22N2 — CID 138711192

IUPAC4-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-1-methylpiperidine
SMILESC/C=c1/c(C2CCN(C)CC2)c[nH]/c1=C/C
InChIInChI=1S/C14H22N2/c1-4-12-13(10-15-14(12)5-2)11-6-8-16(3)9-7-11/h4-5,10-11,15H,6-9H2,1-3H3/b12-4-,14-5+
InChIKeyUPPLOKKKEQXUBS-DTPPLFDSSA-N
MW218.34 g/mol
LogP1.42
Rot. Bonds1

About 4-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-1-methylpiperidine

4-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-1-methylpiperidine (PubChem CID 138711192) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-1-methylpiperidine
PubChem CID138711192
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-1-methylpiperidine
SMILESC/C=c1/c(C2CCN(C)CC2)c[nH]/c1=C/C
InChIInChI=1S/C14H22N2/c1-4-12-13(10-15-14(12)5-2)11-6-8-16(3)9-7-11/h4-5,10-11,15H,6-9H2,1-3H3/b12-4-,14-5+
InChIKeyUPPLOKKKEQXUBS-DTPPLFDSSA-N
XLogP1.42
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-1-methylpiperidine?
The IUPAC name of 4-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-1-methylpiperidine (CID 138711192) is 4-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-1-methylpiperidine?
The canonical SMILES for 4-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-1-methylpiperidine is C/C=c1/c(C2CCN(C)CC2)c[nH]/c1=C/C.
What is the InChIKey of 4-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-1-methylpiperidine?
The InChIKey is UPPLOKKKEQXUBS-DTPPLFDSSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-12-13(10-15-14(12)5-2)11-6-8-16(3)9-7-11/h4-5,10-11,15H,6-9H2,1-3H3/b12-4-,14-5+.
What are the key properties of 4-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-1-methylpiperidine?
4-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-1-methylpiperidine has a molecular weight of 218.34 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-1-methylpiperidine is sourced from PubChem (CID 138711192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).