[4-[(dimethylamino)methyl]-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]methanol

C18H27FN2O — CID 77079576

IUPAC[4-[(dimethylamino)methyl]-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]methanol
SMILESCN(C)CC1(CO)CCN(C/C=C/c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O/c1-20(2)14-18(15-22)9-12-21(13-10-18)11-3-4-16-5-7-17(19)8-6-16/h3-8,22H,9-15H2,1-2H3/b4-3+
InChIKeyBFGGOKJTYAICBY-ONEGZZNKSA-N
MW306.43 g/mol
LogP2.47
Rot. Bonds6

About [4-[(dimethylamino)methyl]-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]methanol

[4-[(dimethylamino)methyl]-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]methanol (PubChem CID 77079576) has the molecular formula C18H27FN2O and a molecular weight of 306.43 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]methanol
PubChem CID77079576
Molecular FormulaC18H27FN2O
Molecular Weight306.43 g/mol
Exact Mass306.21
IUPAC Name[4-[(dimethylamino)methyl]-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]methanol
SMILESCN(C)CC1(CO)CCN(C/C=C/c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O/c1-20(2)14-18(15-22)9-12-21(13-10-18)11-3-4-16-5-7-17(19)8-6-16/h3-8,22H,9-15H2,1-2H3/b4-3+
InChIKeyBFGGOKJTYAICBY-ONEGZZNKSA-N
XLogP2.47
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72895701
1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane
CID 91941402
(1,3-dimethylpyrrolidin-3-yl)-[4-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepan-1-yl]methanone
CID 171146739
1'-[3-(4-fluorophenyl)prop-2-enyl]-5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 91940477
4-(4-bromophenyl)-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-ol
CID 30981687
[(3S)-3-ethyl-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol
CID 97129799
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepan-1-yl]methanone
CID 138809918
1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]
CID 58046534
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazine
CID 10479663
1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135099027
4-fluoro-N-methyl-N-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]benzenesulfonamide
CID 55358304
5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23876609

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]methanol?
The IUPAC name of [4-[(dimethylamino)methyl]-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]methanol (CID 77079576) is [4-[(dimethylamino)methyl]-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(dimethylamino)methyl]-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-[(dimethylamino)methyl]-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]methanol is CN(C)CC1(CO)CCN(C/C=C/c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[(dimethylamino)methyl]-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]methanol?
The InChIKey is BFGGOKJTYAICBY-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-20(2)14-18(15-22)9-12-21(13-10-18)11-3-4-16-5-7-17(19)8-6-16/h3-8,22H,9-15H2,1-2H3/b4-3+.
What are the key properties of [4-[(dimethylamino)methyl]-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]methanol?
[4-[(dimethylamino)methyl]-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]methanol has a molecular weight of 306.43 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]methanol is sourced from PubChem (CID 77079576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).