4-[2-(4-fluorophenyl)sulfanylethyl]-1-[[(1R)-3-methylcyclopentyl]methyl]piperidine

C20H30FNS — CID 142033499

IUPAC4-[2-(4-fluorophenyl)sulfanylethyl]-1-[[(1R)-3-methylcyclopentyl]methyl]piperidine
SMILESCC1CC[C@@H](CN2CCC(CCSc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C20H30FNS/c1-16-2-3-18(14-16)15-22-11-8-17(9-12-22)10-13-23-20-6-4-19(21)5-7-20/h4-7,16-18H,2-3,8-15H2,1H3/t16?,18-/m1/s1
InChIKeyDOWYRMXOGLNNKS-UHUGOGIASA-N
MW335.53 g/mol
LogP5.46
Rot. Bonds6

About 4-[2-(4-fluorophenyl)sulfanylethyl]-1-[[(1R)-3-methylcyclopentyl]methyl]piperidine

4-[2-(4-fluorophenyl)sulfanylethyl]-1-[[(1R)-3-methylcyclopentyl]methyl]piperidine (PubChem CID 142033499) has the molecular formula C20H30FNS and a molecular weight of 335.53 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)sulfanylethyl]-1-[[(1R)-3-methylcyclopentyl]methyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)sulfanylethyl]-1-[[(1R)-3-methylcyclopentyl]methyl]piperidine
PubChem CID142033499
Molecular FormulaC20H30FNS
Molecular Weight335.53 g/mol
Exact Mass335.21
IUPAC Name4-[2-(4-fluorophenyl)sulfanylethyl]-1-[[(1R)-3-methylcyclopentyl]methyl]piperidine
SMILESCC1CC[C@@H](CN2CCC(CCSc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C20H30FNS/c1-16-2-3-18(14-16)15-22-11-8-17(9-12-22)10-13-23-20-6-4-19(21)5-7-20/h4-7,16-18H,2-3,8-15H2,1H3/t16?,18-/m1/s1
InChIKeyDOWYRMXOGLNNKS-UHUGOGIASA-N
XLogP5.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.53
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-fluorophenyl)sulfanylethyl]-1-(3-phenylpropyl)piperidine
CID 142912990
(2R)-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-(4-fluorophenyl)sulfanylethyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]-4-methylpentanoic acid
CID 44565719
benzene;ethylcyclopentane;4-[3-(4-fluorophenyl)propyl]-1-[(3-methylcyclopentyl)methyl]piperidine;hexanoic acid
CID 142033492
1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid
CID 70056141
1-[(2,4-dimethylcyclopentyl)methyl]-4-[3-(4-fluorophenyl)propyl]piperidine
CID 142033316
1-(4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 107520786
(4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane
CID 158052051
4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
CID 107415125
1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine
CID 62545645
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-fluorophenyl)methyl]piperidine
CID 11016872
4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
CID 54415158
2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride
CID 72716584

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)sulfanylethyl]-1-[[(1R)-3-methylcyclopentyl]methyl]piperidine?
The IUPAC name of 4-[2-(4-fluorophenyl)sulfanylethyl]-1-[[(1R)-3-methylcyclopentyl]methyl]piperidine (CID 142033499) is 4-[2-(4-fluorophenyl)sulfanylethyl]-1-[[(1R)-3-methylcyclopentyl]methyl]piperidine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)sulfanylethyl]-1-[[(1R)-3-methylcyclopentyl]methyl]piperidine?
The canonical SMILES for 4-[2-(4-fluorophenyl)sulfanylethyl]-1-[[(1R)-3-methylcyclopentyl]methyl]piperidine is CC1CC[C@@H](CN2CCC(CCSc3ccc(F)cc3)CC2)C1.
What is the InChIKey of 4-[2-(4-fluorophenyl)sulfanylethyl]-1-[[(1R)-3-methylcyclopentyl]methyl]piperidine?
The InChIKey is DOWYRMXOGLNNKS-UHUGOGIASA-N. The full InChI is InChI=1S/C20H30FNS/c1-16-2-3-18(14-16)15-22-11-8-17(9-12-22)10-13-23-20-6-4-19(21)5-7-20/h4-7,16-18H,2-3,8-15H2,1H3/t16?,18-/m1/s1.
What are the key properties of 4-[2-(4-fluorophenyl)sulfanylethyl]-1-[[(1R)-3-methylcyclopentyl]methyl]piperidine?
4-[2-(4-fluorophenyl)sulfanylethyl]-1-[[(1R)-3-methylcyclopentyl]methyl]piperidine has a molecular weight of 335.53 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)sulfanylethyl]-1-[[(1R)-3-methylcyclopentyl]methyl]piperidine is sourced from PubChem (CID 142033499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).