4-methyl-1-[[4-[(1Z,3Z)-penta-1,3-dienyl]-2-prop-1-en-2-yl-3H-pyrrol-5-yl]methyl]piperidine

C19H28N2 — CID 143722184

IUPAC4-methyl-1-[[4-[(1Z,3Z)-penta-1,3-dienyl]-2-prop-1-en-2-yl-3H-pyrrol-5-yl]methyl]piperidine
SMILESC=C(C)C1=NC(CN2CCC(C)CC2)=C(/C=C\C=C/C)C1
InChIInChI=1S/C19H28N2/c1-5-6-7-8-17-13-18(15(2)3)20-19(17)14-21-11-9-16(4)10-12-21/h5-8,16H,2,9-14H2,1,3-4H3/b6-5-,8-7-
InChIKeyHQVQCROGWDDIDH-ISTTXYCBSA-N
MW284.45 g/mol
LogP4.53
Rot. Bonds5

About 4-methyl-1-[[4-[(1Z,3Z)-penta-1,3-dienyl]-2-prop-1-en-2-yl-3H-pyrrol-5-yl]methyl]piperidine

4-methyl-1-[[4-[(1Z,3Z)-penta-1,3-dienyl]-2-prop-1-en-2-yl-3H-pyrrol-5-yl]methyl]piperidine (PubChem CID 143722184) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 4-methyl-1-[[4-[(1Z,3Z)-penta-1,3-dienyl]-2-prop-1-en-2-yl-3H-pyrrol-5-yl]methyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[[4-[(1Z,3Z)-penta-1,3-dienyl]-2-prop-1-en-2-yl-3H-pyrrol-5-yl]methyl]piperidine
PubChem CID143722184
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name4-methyl-1-[[4-[(1Z,3Z)-penta-1,3-dienyl]-2-prop-1-en-2-yl-3H-pyrrol-5-yl]methyl]piperidine
SMILESC=C(C)C1=NC(CN2CCC(C)CC2)=C(/C=C\C=C/C)C1
InChIInChI=1S/C19H28N2/c1-5-6-7-8-17-13-18(15(2)3)20-19(17)14-21-11-9-16(4)10-12-21/h5-8,16H,2,9-14H2,1,3-4H3/b6-5-,8-7-
InChIKeyHQVQCROGWDDIDH-ISTTXYCBSA-N
XLogP4.53
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-[(1Z,3Z)-penta-1,3-dienyl]-2-prop-1-en-2-yl-3H-pyrrol-5-yl]methyl]piperidine?
The IUPAC name of 4-methyl-1-[[4-[(1Z,3Z)-penta-1,3-dienyl]-2-prop-1-en-2-yl-3H-pyrrol-5-yl]methyl]piperidine (CID 143722184) is 4-methyl-1-[[4-[(1Z,3Z)-penta-1,3-dienyl]-2-prop-1-en-2-yl-3H-pyrrol-5-yl]methyl]piperidine.
What is the SMILES notation for 4-methyl-1-[[4-[(1Z,3Z)-penta-1,3-dienyl]-2-prop-1-en-2-yl-3H-pyrrol-5-yl]methyl]piperidine?
The canonical SMILES for 4-methyl-1-[[4-[(1Z,3Z)-penta-1,3-dienyl]-2-prop-1-en-2-yl-3H-pyrrol-5-yl]methyl]piperidine is C=C(C)C1=NC(CN2CCC(C)CC2)=C(/C=C\C=C/C)C1.
What is the InChIKey of 4-methyl-1-[[4-[(1Z,3Z)-penta-1,3-dienyl]-2-prop-1-en-2-yl-3H-pyrrol-5-yl]methyl]piperidine?
The InChIKey is HQVQCROGWDDIDH-ISTTXYCBSA-N. The full InChI is InChI=1S/C19H28N2/c1-5-6-7-8-17-13-18(15(2)3)20-19(17)14-21-11-9-16(4)10-12-21/h5-8,16H,2,9-14H2,1,3-4H3/b6-5-,8-7-.
What are the key properties of 4-methyl-1-[[4-[(1Z,3Z)-penta-1,3-dienyl]-2-prop-1-en-2-yl-3H-pyrrol-5-yl]methyl]piperidine?
4-methyl-1-[[4-[(1Z,3Z)-penta-1,3-dienyl]-2-prop-1-en-2-yl-3H-pyrrol-5-yl]methyl]piperidine has a molecular weight of 284.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-[(1Z,3Z)-penta-1,3-dienyl]-2-prop-1-en-2-yl-3H-pyrrol-5-yl]methyl]piperidine is sourced from PubChem (CID 143722184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).