(3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol

C13H18FNO — CID 129393398

IUPAC(3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol
SMILESC[C@H]1CN(Cc2cccc(F)c2)CC[C@@H]1O
InChIInChI=1S/C13H18FNO/c1-10-8-15(6-5-13(10)16)9-11-3-2-4-12(14)7-11/h2-4,7,10,13,16H,5-6,8-9H2,1H3/t10-,13-/m0/s1
InChIKeyHEUWBLRZNMXLRG-GWCFXTLKSA-N
MW223.29 g/mol
LogP2.03
Rot. Bonds2

About (3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol

(3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol (PubChem CID 129393398) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol
PubChem CID129393398
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol
SMILESC[C@H]1CN(Cc2cccc(F)c2)CC[C@@H]1O
InChIInChI=1S/C13H18FNO/c1-10-8-15(6-5-13(10)16)9-11-3-2-4-12(14)7-11/h2-4,7,10,13,16H,5-6,8-9H2,1H3/t10-,13-/m0/s1
InChIKeyHEUWBLRZNMXLRG-GWCFXTLKSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol
CID 114678032
N-ethyl-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-amine
CID 54975188
1-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidin-4-ol
CID 114681109
(3R,4R)-4-(cyclopropylamino)-1-[(3-fluorophenyl)methyl]piperidin-3-ol
CID 92568648
3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 114681418
(3R)-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 24904616
1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114681427
1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 175878823
1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114502450
(3R,4R)-1-[(3-fluorophenyl)methyl]-4-(2-hydroxyethylamino)piperidin-3-ol;dihydrochloride
CID 175654370
4-[(3-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine
CID 22199602
1-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpiperidin-4-ol
CID 114681113

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol?
The IUPAC name of (3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol (CID 129393398) is (3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for (3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for (3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol is C[C@H]1CN(Cc2cccc(F)c2)CC[C@@H]1O.
What is the InChIKey of (3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol?
The InChIKey is HEUWBLRZNMXLRG-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-8-15(6-5-13(10)16)9-11-3-2-4-12(14)7-11/h2-4,7,10,13,16H,5-6,8-9H2,1H3/t10-,13-/m0/s1.
What are the key properties of (3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol?
(3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol has a molecular weight of 223.29 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 129393398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).