1-[4-(3-fluorophenyl)phenyl]-4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]piperidine

C23H29FN2O — CID 31043895

IUPAC1-[4-(3-fluorophenyl)phenyl]-4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]piperidine
SMILESCOC[C@H]1CCN(C2CCN(c3ccc(-c4cccc(F)c4)cc3)CC2)C1
InChIInChI=1S/C23H29FN2O/c1-27-17-18-9-12-26(16-18)23-10-13-25(14-11-23)22-7-5-19(6-8-22)20-3-2-4-21(24)15-20/h2-8,15,18,23H,9-14,16-17H2,1H3/t18-/m0/s1
InChIKeyBKUSOFIBDHPRJN-SFHVURJKSA-N
MW368.50 g/mol
LogP4.43
Rot. Bonds5

About 1-[4-(3-fluorophenyl)phenyl]-4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]piperidine

1-[4-(3-fluorophenyl)phenyl]-4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]piperidine (PubChem CID 31043895) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-[4-(3-fluorophenyl)phenyl]-4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]piperidine.

Molecular Properties

Compound Name1-[4-(3-fluorophenyl)phenyl]-4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]piperidine
PubChem CID31043895
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name1-[4-(3-fluorophenyl)phenyl]-4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]piperidine
SMILESCOC[C@H]1CCN(C2CCN(c3ccc(-c4cccc(F)c4)cc3)CC2)C1
InChIInChI=1S/C23H29FN2O/c1-27-17-18-9-12-26(16-18)23-10-13-25(14-11-23)22-7-5-19(6-8-22)20-3-2-4-21(24)15-20/h2-8,15,18,23H,9-14,16-17H2,1H3/t18-/m0/s1
InChIKeyBKUSOFIBDHPRJN-SFHVURJKSA-N
XLogP4.43
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
CID 44305977
4-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]butan-1-ol
CID 44306180
(4aR,9bR)-2-ethyl-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
CID 44306192
4-[(4aR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]butan-1-ol
CID 44307151
{(3R*,4R*)-4-[(dimethylamino)methyl]-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]pyrrolidin-3-yl}methanol
CID 70767794
(1S,4S)-2-methyl-5-(4-phenylphenyl)-2,5-diazabicyclo[2.2.1]heptane
CID 118735745
(3R,4S)-1-[(2-fluoro-6-methylphenyl)methyl]-N,N-dimethyl-4-[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]pyrrolidin-3-amine
CID 137631625
methyl 4-[4-[(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl]phenyl]piperazine-1-carboxylate
CID 137636493
(3R,4S)-1-[(2-fluoro-6-methylphenyl)methyl]-N,N-dimethyl-4-[4-(4-phenylpiperazin-1-yl)phenyl]pyrrolidin-3-amine
CID 137638056
1-[4-[(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl]phenyl]-N,N-dimethylpiperidin-4-amine
CID 137639788
1-[4-[4-[(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl]phenyl]piperazin-1-yl]ethanone
CID 137646443
(3R,4S)-1-[(2-fluoro-6-methylphenyl)methyl]-N,N-dimethyl-4-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]pyrrolidin-3-amine
CID 137654491

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorophenyl)phenyl]-4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]piperidine?
The IUPAC name of 1-[4-(3-fluorophenyl)phenyl]-4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]piperidine (CID 31043895) is 1-[4-(3-fluorophenyl)phenyl]-4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]piperidine.
What is the SMILES notation for 1-[4-(3-fluorophenyl)phenyl]-4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]piperidine?
The canonical SMILES for 1-[4-(3-fluorophenyl)phenyl]-4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]piperidine is COC[C@H]1CCN(C2CCN(c3ccc(-c4cccc(F)c4)cc3)CC2)C1.
What is the InChIKey of 1-[4-(3-fluorophenyl)phenyl]-4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]piperidine?
The InChIKey is BKUSOFIBDHPRJN-SFHVURJKSA-N. The full InChI is InChI=1S/C23H29FN2O/c1-27-17-18-9-12-26(16-18)23-10-13-25(14-11-23)22-7-5-19(6-8-22)20-3-2-4-21(24)15-20/h2-8,15,18,23H,9-14,16-17H2,1H3/t18-/m0/s1.
What are the key properties of 1-[4-(3-fluorophenyl)phenyl]-4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]piperidine?
1-[4-(3-fluorophenyl)phenyl]-4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]piperidine has a molecular weight of 368.50 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorophenyl)phenyl]-4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]piperidine is sourced from PubChem (CID 31043895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).