N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride

C19H25Cl2FN2S — CID 19696673

IUPACN-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
SMILESCSc1ccc(F)cc1CNC1CCCNC1c1ccccc1.Cl.Cl
InChIInChI=1S/C19H23FN2S.2ClH/c1-23-18-10-9-16(20)12-15(18)13-22-17-8-5-11-21-19(17)14-6-3-2-4-7-14;;/h2-4,6-7,9-10,12,17,19,21-22H,5,8,11,13H2,1H3;2*1H
InChIKeyDOYXBZRVJNIJFJ-UHFFFAOYSA-N
MW403.39 g/mol
LogP4.97
Rot. Bonds5

About N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride

N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride (PubChem CID 19696673) has the molecular formula C19H25Cl2FN2S and a molecular weight of 403.39 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
PubChem CID19696673
Molecular FormulaC19H25Cl2FN2S
Molecular Weight403.39 g/mol
Exact Mass402.11
IUPAC NameN-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
SMILESCSc1ccc(F)cc1CNC1CCCNC1c1ccccc1.Cl.Cl
InChIInChI=1S/C19H23FN2S.2ClH/c1-23-18-10-9-16(20)12-15(18)13-22-17-8-5-11-21-19(17)14-6-3-2-4-7-14;;/h2-4,6-7,9-10,12,17,19,21-22H,5,8,11,13H2,1H3;2*1H
InChIKeyDOYXBZRVJNIJFJ-UHFFFAOYSA-N
XLogP4.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 54152550
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
N-[[2,4-dimethoxy-5-(2,2,2-trifluoroethyl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 18677585
(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine
CID 54529861
(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67618693
(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
CID 67754429
(2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54131867
N-[(2-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 19696661
(2S,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54042536
N-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 21477704

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride?
The IUPAC name of N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride (CID 19696673) is N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride.
What is the SMILES notation for N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride?
The canonical SMILES for N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride is CSc1ccc(F)cc1CNC1CCCNC1c1ccccc1.Cl.Cl.
What is the InChIKey of N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride?
The InChIKey is DOYXBZRVJNIJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2S.2ClH/c1-23-18-10-9-16(20)12-15(18)13-22-17-8-5-11-21-19(17)14-6-3-2-4-7-14;;/h2-4,6-7,9-10,12,17,19,21-22H,5,8,11,13H2,1H3;2*1H.
What are the key properties of N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride?
N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride has a molecular weight of 403.39 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride is sourced from PubChem (CID 19696673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).