1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-4-methylpiperidin-4-ol

C16H25FN2O — CID 81103994

IUPAC1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-4-methylpiperidin-4-ol
SMILESCC(C)NCc1cc(F)ccc1N1CCC(C)(O)CC1
InChIInChI=1S/C16H25FN2O/c1-12(2)18-11-13-10-14(17)4-5-15(13)19-8-6-16(3,20)7-9-19/h4-5,10,12,18,20H,6-9,11H2,1-3H3
InChIKeyHRGYCWPRLKMCKC-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.67
Rot. Bonds4

About 1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-4-methylpiperidin-4-ol

1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-4-methylpiperidin-4-ol (PubChem CID 81103994) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-4-methylpiperidin-4-ol
PubChem CID81103994
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-4-methylpiperidin-4-ol
SMILESCC(C)NCc1cc(F)ccc1N1CCC(C)(O)CC1
InChIInChI=1S/C16H25FN2O/c1-12(2)18-11-13-10-14(17)4-5-15(13)19-8-6-16(3,20)7-9-19/h4-5,10,12,18,20H,6-9,11H2,1-3H3
InChIKeyHRGYCWPRLKMCKC-UHFFFAOYSA-N
XLogP2.67
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 63217806
N-[[5-fluoro-2-(1,4-thiazepan-4-yl)phenyl]methyl]propan-2-amine
CID 61419095
1-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol
CID 81097570
[1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol
CID 112626558
N-[[2-(3,5-dimethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43313806
4-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-1,4-diazepan-2-one
CID 65366585
N-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43584751
2-[2-(4,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 63784618
1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 63158482
N-[[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 54886079
[1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 116635482
N-[[5-chloro-2-(7,7-dimethyl-1,4-thiazepan-4-yl)phenyl]methyl]propan-2-amine
CID 107457004

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-4-methylpiperidin-4-ol (CID 81103994) is 1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-4-methylpiperidin-4-ol is CC(C)NCc1cc(F)ccc1N1CCC(C)(O)CC1.
What is the InChIKey of 1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-4-methylpiperidin-4-ol?
The InChIKey is HRGYCWPRLKMCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(2)18-11-13-10-14(17)4-5-15(13)19-8-6-16(3,20)7-9-19/h4-5,10,12,18,20H,6-9,11H2,1-3H3.
What are the key properties of 1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-4-methylpiperidin-4-ol?
1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-4-methylpiperidin-4-ol has a molecular weight of 280.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81103994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).