1-(4-fluorophenyl)-4-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]piperidine

C18H25FN2O — CID 89357819

IUPAC1-(4-fluorophenyl)-4-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]piperidine
SMILESC=CCO[C@@H]1CCN(C2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H25FN2O/c1-2-13-22-18-9-12-21(14-18)17-7-10-20(11-8-17)16-5-3-15(19)4-6-16/h2-6,17-18H,1,7-14H2/t18-/m1/s1
InChIKeySRGZQVQUCPMJAQ-GOSISDBHSA-N
MW304.41 g/mol
LogP3.07
Rot. Bonds5

About 1-(4-fluorophenyl)-4-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]piperidine

1-(4-fluorophenyl)-4-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]piperidine (PubChem CID 89357819) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]piperidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]piperidine
PubChem CID89357819
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name1-(4-fluorophenyl)-4-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]piperidine
SMILESC=CCO[C@@H]1CCN(C2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H25FN2O/c1-2-13-22-18-9-12-21(14-18)17-7-10-20(11-8-17)16-5-3-15(19)4-6-16/h2-6,17-18H,1,7-14H2/t18-/m1/s1
InChIKeySRGZQVQUCPMJAQ-GOSISDBHSA-N
XLogP3.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-nitrophenyl)-3-prop-2-enoxypyrrolidine
CID 133465446
3,5-dimethyl-4-[4-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]azepan-1-yl]-1,2-oxazole
CID 89357648
2-chloro-4-(3-prop-2-enoxypyrrolidin-1-yl)benzonitrile
CID 133465494
1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine
CID 45211866
(3R)-3-[(4-fluorophenyl)methoxy]-1-(oxolan-3-yl)pyrrolidine
CID 71193384
(4R,5R)-7-[1-(4-fluorophenyl)piperidin-4-yl]-7-azaspiro[4.5]decan-4-ol
CID 135117835
1-(4-fluorophenyl)piperidin-4-amine;hydrochloride
CID 53442031
[1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine
CID 45184102
4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline
CID 169149133
4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]aniline;methanethiol
CID 169149047
(1S,5R)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine
CID 126449938
5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine
CID 133465210

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]piperidine?
The IUPAC name of 1-(4-fluorophenyl)-4-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]piperidine (CID 89357819) is 1-(4-fluorophenyl)-4-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]piperidine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]piperidine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]piperidine is C=CCO[C@@H]1CCN(C2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]piperidine?
The InChIKey is SRGZQVQUCPMJAQ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-2-13-22-18-9-12-21(14-18)17-7-10-20(11-8-17)16-5-3-15(19)4-6-16/h2-6,17-18H,1,7-14H2/t18-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-4-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]piperidine?
1-(4-fluorophenyl)-4-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]piperidine has a molecular weight of 304.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[(3R)-3-prop-2-enoxypyrrolidin-1-yl]piperidine is sourced from PubChem (CID 89357819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).