[3-[(4-fluorophenyl)methyl]-1-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]methanol

C22H30FN3O — CID 126808365

IUPAC[3-[(4-fluorophenyl)methyl]-1-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]methanol
SMILESCC(C)N(C)c1ccc(CN2CCC(CO)(Cc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C22H30FN3O/c1-17(2)25(3)21-9-6-19(13-24-21)14-26-11-10-22(15-26,16-27)12-18-4-7-20(23)8-5-18/h4-9,13,17,27H,10-12,14-16H2,1-3H3
InChIKeyVOUATPQZSSFCRF-UHFFFAOYSA-N
MW371.50 g/mol
LogP3.49
Rot. Bonds7

About [3-[(4-fluorophenyl)methyl]-1-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]methanol

[3-[(4-fluorophenyl)methyl]-1-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 126808365) has the molecular formula C22H30FN3O and a molecular weight of 371.50 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]-1-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]-1-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]methanol
PubChem CID126808365
Molecular FormulaC22H30FN3O
Molecular Weight371.50 g/mol
Exact Mass371.24
IUPAC Name[3-[(4-fluorophenyl)methyl]-1-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]methanol
SMILESCC(C)N(C)c1ccc(CN2CCC(CO)(Cc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C22H30FN3O/c1-17(2)25(3)21-9-6-19(13-24-21)14-26-11-10-22(15-26,16-27)12-18-4-7-20(23)8-5-18/h4-9,13,17,27H,10-12,14-16H2,1-3H3
InChIKeyVOUATPQZSSFCRF-UHFFFAOYSA-N
XLogP3.49
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methanol
CID 61252794
[(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol
CID 97122738
[3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol
CID 45219253
5-[(4-aminopiperidin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120834439
N-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120839700
(4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol
CID 72935923
[(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol
CID 42189124
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 120837689
[1-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 126803762
[3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol
CID 45183780
5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77084244
4-[4-[[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol
CID 45177304

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]-1-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [3-[(4-fluorophenyl)methyl]-1-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]methanol (CID 126808365) is [3-[(4-fluorophenyl)methyl]-1-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]-1-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]-1-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]methanol is CC(C)N(C)c1ccc(CN2CCC(CO)(Cc3ccc(F)cc3)C2)cn1.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]-1-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is VOUATPQZSSFCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O/c1-17(2)25(3)21-9-6-19(13-24-21)14-26-11-10-22(15-26,16-27)12-18-4-7-20(23)8-5-18/h4-9,13,17,27H,10-12,14-16H2,1-3H3.
What are the key properties of [3-[(4-fluorophenyl)methyl]-1-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]methanol?
[3-[(4-fluorophenyl)methyl]-1-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 371.50 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl]-1-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 126808365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).