1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine

C18H25FN2 — CID 99929236

IUPAC1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine
SMILESFc1ccc(/C=C/CN2CC[C@H](N3CCCCC3)C2)cc1
InChIInChI=1S/C18H25FN2/c19-17-8-6-16(7-9-17)5-4-11-20-14-10-18(15-20)21-12-2-1-3-13-21/h4-9,18H,1-3,10-15H2/b5-4+/t18-/m0/s1
InChIKeyPWCKBPVUZORZDS-WRFKIARRSA-N
MW288.41 g/mol
LogP3.40
Rot. Bonds4

About 1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine

1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine (PubChem CID 99929236) has the molecular formula C18H25FN2 and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine.

Molecular Properties

Compound Name1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine
PubChem CID99929236
Molecular FormulaC18H25FN2
Molecular Weight288.41 g/mol
Exact Mass288.20
IUPAC Name1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine
SMILESFc1ccc(/C=C/CN2CC[C@H](N3CCCCC3)C2)cc1
InChIInChI=1S/C18H25FN2/c19-17-8-6-16(7-9-17)5-4-11-20-14-10-18(15-20)21-12-2-1-3-13-21/h4-9,18H,1-3,10-15H2/b5-4+/t18-/m0/s1
InChIKeyPWCKBPVUZORZDS-WRFKIARRSA-N
XLogP3.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine
CID 77081809
ethyl 4-[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-3-yl]piperazine-1-carboxylate
CID 51636179
1-[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 29253860
3-(ethoxymethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine
CID 122158319
4-fluoro-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline
CID 63167577
2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol
CID 51634282
4-(4-cyclopropyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine
CID 46994815
1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane
CID 91941402
[5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 63289543
4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)but-2-enoic acid
CID 76986901
[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25460818
1-(2-methoxyphenyl)-4-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]piperazine
CID 45201347

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine?
The IUPAC name of 1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine (CID 99929236) is 1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine.
What is the SMILES notation for 1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine?
The canonical SMILES for 1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine is Fc1ccc(/C=C/CN2CC[C@H](N3CCCCC3)C2)cc1.
What is the InChIKey of 1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine?
The InChIKey is PWCKBPVUZORZDS-WRFKIARRSA-N. The full InChI is InChI=1S/C18H25FN2/c19-17-8-6-16(7-9-17)5-4-11-20-14-10-18(15-20)21-12-2-1-3-13-21/h4-9,18H,1-3,10-15H2/b5-4+/t18-/m0/s1.
What are the key properties of 1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine?
1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine has a molecular weight of 288.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine is sourced from PubChem (CID 99929236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).