1-(2-fluoro-2-methylpropyl)-4-[(1Z)-4-methyl-1-(2-methylidene-1H-pyrrol-3-ylidene)pent-2-enyl]piperidine

C20H31FN2 — CID 144859661

IUPAC1-(2-fluoro-2-methylpropyl)-4-[(1Z)-4-methyl-1-(2-methylidene-1H-pyrrol-3-ylidene)pent-2-enyl]piperidine
SMILESC=c1[nH]cc/c1=C(/C=CC(C)C)C1CCN(CC(C)(C)F)CC1
InChIInChI=1S/C20H31FN2/c1-15(2)6-7-19(18-8-11-22-16(18)3)17-9-12-23(13-10-17)14-20(4,5)21/h6-8,11,15,17,22H,3,9-10,12-14H2,1-2,4-5H3/b7-6?,19-18+
InChIKeyOJDGEMOWVRUNGI-TXVIZESSSA-N
MW318.48 g/mol
LogP3.25
Rot. Bonds5

About 1-(2-fluoro-2-methylpropyl)-4-[(1Z)-4-methyl-1-(2-methylidene-1H-pyrrol-3-ylidene)pent-2-enyl]piperidine

1-(2-fluoro-2-methylpropyl)-4-[(1Z)-4-methyl-1-(2-methylidene-1H-pyrrol-3-ylidene)pent-2-enyl]piperidine (PubChem CID 144859661) has the molecular formula C20H31FN2 and a molecular weight of 318.48 g/mol. Its IUPAC name is 1-(2-fluoro-2-methylpropyl)-4-[(1Z)-4-methyl-1-(2-methylidene-1H-pyrrol-3-ylidene)pent-2-enyl]piperidine.

Molecular Properties

Compound Name1-(2-fluoro-2-methylpropyl)-4-[(1Z)-4-methyl-1-(2-methylidene-1H-pyrrol-3-ylidene)pent-2-enyl]piperidine
PubChem CID144859661
Molecular FormulaC20H31FN2
Molecular Weight318.48 g/mol
Exact Mass318.25
IUPAC Name1-(2-fluoro-2-methylpropyl)-4-[(1Z)-4-methyl-1-(2-methylidene-1H-pyrrol-3-ylidene)pent-2-enyl]piperidine
SMILESC=c1[nH]cc/c1=C(/C=CC(C)C)C1CCN(CC(C)(C)F)CC1
InChIInChI=1S/C20H31FN2/c1-15(2)6-7-19(18-8-11-22-16(18)3)17-9-12-23(13-10-17)14-20(4,5)21/h6-8,11,15,17,22H,3,9-10,12-14H2,1-2,4-5H3/b7-6?,19-18+
InChIKeyOJDGEMOWVRUNGI-TXVIZESSSA-N
XLogP3.25
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-fluoro-2-methylpropyl)-4-[(1Z)-4-methyl-1-(2-methylidene-1H-pyrrol-3-ylidene)pent-2-enyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-2-methylpropyl)-4-[(1Z)-4-methyl-1-(2-methylidene-1H-pyrrol-3-ylidene)pent-2-enyl]piperidine?
The IUPAC name of 1-(2-fluoro-2-methylpropyl)-4-[(1Z)-4-methyl-1-(2-methylidene-1H-pyrrol-3-ylidene)pent-2-enyl]piperidine (CID 144859661) is 1-(2-fluoro-2-methylpropyl)-4-[(1Z)-4-methyl-1-(2-methylidene-1H-pyrrol-3-ylidene)pent-2-enyl]piperidine.
What is the SMILES notation for 1-(2-fluoro-2-methylpropyl)-4-[(1Z)-4-methyl-1-(2-methylidene-1H-pyrrol-3-ylidene)pent-2-enyl]piperidine?
The canonical SMILES for 1-(2-fluoro-2-methylpropyl)-4-[(1Z)-4-methyl-1-(2-methylidene-1H-pyrrol-3-ylidene)pent-2-enyl]piperidine is C=c1[nH]cc/c1=C(/C=CC(C)C)C1CCN(CC(C)(C)F)CC1.
What is the InChIKey of 1-(2-fluoro-2-methylpropyl)-4-[(1Z)-4-methyl-1-(2-methylidene-1H-pyrrol-3-ylidene)pent-2-enyl]piperidine?
The InChIKey is OJDGEMOWVRUNGI-TXVIZESSSA-N. The full InChI is InChI=1S/C20H31FN2/c1-15(2)6-7-19(18-8-11-22-16(18)3)17-9-12-23(13-10-17)14-20(4,5)21/h6-8,11,15,17,22H,3,9-10,12-14H2,1-2,4-5H3/b7-6?,19-18+.
What are the key properties of 1-(2-fluoro-2-methylpropyl)-4-[(1Z)-4-methyl-1-(2-methylidene-1H-pyrrol-3-ylidene)pent-2-enyl]piperidine?
1-(2-fluoro-2-methylpropyl)-4-[(1Z)-4-methyl-1-(2-methylidene-1H-pyrrol-3-ylidene)pent-2-enyl]piperidine has a molecular weight of 318.48 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-2-methylpropyl)-4-[(1Z)-4-methyl-1-(2-methylidene-1H-pyrrol-3-ylidene)pent-2-enyl]piperidine is sourced from PubChem (CID 144859661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).