(3R,4S)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol

C18H27FN2O — CID 72858332

IUPAC(3R,4S)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol
SMILESC[C@@H]1CN(C2CCN(c3ccccc3F)CC2)CC[C@]1(C)O
InChIInChI=1S/C18H27FN2O/c1-14-13-21(12-9-18(14,2)22)15-7-10-20(11-8-15)17-6-4-3-5-16(17)19/h3-6,14-15,22H,7-13H2,1-2H3/t14-,18+/m1/s1
InChIKeyYMMSEVVVVGCODG-KDOFPFPSSA-N
MW306.42 g/mol
LogP2.89
Rot. Bonds2

About (3R,4S)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol

(3R,4S)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol (PubChem CID 72858332) has the molecular formula C18H27FN2O and a molecular weight of 306.42 g/mol. Its IUPAC name is (3R,4S)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol
PubChem CID72858332
Molecular FormulaC18H27FN2O
Molecular Weight306.42 g/mol
Exact Mass306.21
IUPAC Name(3R,4S)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol
SMILESC[C@@H]1CN(C2CCN(c3ccccc3F)CC2)CC[C@]1(C)O
InChIInChI=1S/C18H27FN2O/c1-14-13-21(12-9-18(14,2)22)15-7-10-20(11-8-15)17-6-4-3-5-16(17)19/h3-6,14-15,22H,7-13H2,1-2H3/t14-,18+/m1/s1
InChIKeyYMMSEVVVVGCODG-KDOFPFPSSA-N
XLogP2.89
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol?
The IUPAC name of (3R,4S)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol (CID 72858332) is (3R,4S)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol.
What is the SMILES notation for (3R,4S)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol?
The canonical SMILES for (3R,4S)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol is C[C@@H]1CN(C2CCN(c3ccccc3F)CC2)CC[C@]1(C)O.
What is the InChIKey of (3R,4S)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol?
The InChIKey is YMMSEVVVVGCODG-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-14-13-21(12-9-18(14,2)22)15-7-10-20(11-8-15)17-6-4-3-5-16(17)19/h3-6,14-15,22H,7-13H2,1-2H3/t14-,18+/m1/s1.
What are the key properties of (3R,4S)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol?
(3R,4S)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol has a molecular weight of 306.42 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpiperidin-4-ol is sourced from PubChem (CID 72858332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).