(3S,4S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine;dihydrochloride

C14H22Cl2FNO — CID 140532848

IUPAC(3S,4S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine;dihydrochloride
SMILESCCOc1ccc([C@H]2CCNC[C@H]2C)cc1F.Cl.Cl
InChIInChI=1S/C14H20FNO.2ClH/c1-3-17-14-5-4-11(8-13(14)15)12-6-7-16-9-10(12)2;;/h4-5,8,10,12,16H,3,6-7,9H2,1-2H3;2*1H/t10-,12+;;/m1../s1
InChIKeyPGEWPWRVUXYDNV-BOTBFRDUSA-N
MW310.24 g/mol
LogP3.78
Rot. Bonds3

About (3S,4S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine;dihydrochloride

(3S,4S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine;dihydrochloride (PubChem CID 140532848) has the molecular formula C14H22Cl2FNO and a molecular weight of 310.24 g/mol. Its IUPAC name is (3S,4S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine;dihydrochloride.

Molecular Properties

Compound Name(3S,4S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine;dihydrochloride
PubChem CID140532848
Molecular FormulaC14H22Cl2FNO
Molecular Weight310.24 g/mol
Exact Mass309.11
IUPAC Name(3S,4S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine;dihydrochloride
SMILESCCOc1ccc([C@H]2CCNC[C@H]2C)cc1F.Cl.Cl
InChIInChI=1S/C14H20FNO.2ClH/c1-3-17-14-5-4-11(8-13(14)15)12-6-7-16-9-10(12)2;;/h4-5,8,10,12,16H,3,6-7,9H2,1-2H3;2*1H/t10-,12+;;/m1../s1
InChIKeyPGEWPWRVUXYDNV-BOTBFRDUSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidine
CID 166767477
4-(2-ethoxyphenyl)-3-methylpiperidine
CID 66280150
N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine
CID 115118835
4-(4-chloro-3-methoxyphenyl)-3-methylpiperidine
CID 114502183
4-(4-ethylphenyl)-3-methylpiperidine
CID 66279272
4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine
CID 82291965
2-methoxy-5-[(3R,4S)-3-methylpiperidin-4-yl]benzoic acid
CID 58617157
2-(4-ethoxy-3-fluorophenyl)-5-methylmorpholine
CID 82292465
4-(2,4-difluorophenyl)-3-methylpiperidine
CID 66279713
3-methyl-4-naphthalen-2-ylpiperidine
CID 66277961
4-(4-cyclopropylphenyl)-3-methylpiperidine
CID 79978066
3-methyl-4-(4-methylsulfanylphenyl)piperidine
CID 79320888

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine;dihydrochloride?
The IUPAC name of (3S,4S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine;dihydrochloride (CID 140532848) is (3S,4S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine;dihydrochloride.
What is the SMILES notation for (3S,4S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine;dihydrochloride?
The canonical SMILES for (3S,4S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine;dihydrochloride is CCOc1ccc([C@H]2CCNC[C@H]2C)cc1F.Cl.Cl.
What is the InChIKey of (3S,4S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine;dihydrochloride?
The InChIKey is PGEWPWRVUXYDNV-BOTBFRDUSA-N. The full InChI is InChI=1S/C14H20FNO.2ClH/c1-3-17-14-5-4-11(8-13(14)15)12-6-7-16-9-10(12)2;;/h4-5,8,10,12,16H,3,6-7,9H2,1-2H3;2*1H/t10-,12+;;/m1../s1.
What are the key properties of (3S,4S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine;dihydrochloride?
(3S,4S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine;dihydrochloride has a molecular weight of 310.24 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine;dihydrochloride is sourced from PubChem (CID 140532848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).