1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine

C20H27FN2S — CID 42457179

IUPAC1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
SMILESCN(Cc1ccsc1)CC1CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C20H27FN2S/c1-22(15-18-9-13-24-16-18)14-17-6-10-23(11-7-17)12-8-19-4-2-3-5-20(19)21/h2-5,9,13,16-17H,6-8,10-12,14-15H2,1H3
InChIKeyKZELSPPSUQOMHT-UHFFFAOYSA-N
MW346.51 g/mol
LogP4.27
Rot. Bonds7

About 1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine

1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 42457179) has the molecular formula C20H27FN2S and a molecular weight of 346.51 g/mol. Its IUPAC name is 1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
PubChem CID42457179
Molecular FormulaC20H27FN2S
Molecular Weight346.51 g/mol
Exact Mass346.19
IUPAC Name1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
SMILESCN(Cc1ccsc1)CC1CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C20H27FN2S/c1-22(15-18-9-13-24-16-18)14-17-6-10-23(11-7-17)12-8-19-4-2-3-5-20(19)21/h2-5,9,13,16-17H,6-8,10-12,14-15H2,1H3
InChIKeyKZELSPPSUQOMHT-UHFFFAOYSA-N
XLogP4.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tenocyclidine
CID 62751
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
Gacyclidine
CID 176265
(S)-1-Propyl-3-(3-thiophen-3-yl-phenyl)-piperidine
CID 11778702
1-(1-(5-(2'-Fluoroethyl)-2-thienyl)-cyclohexyl)piperidine
CID 192646
1,2,3,6-Tetrahydro-1-[1-(2-thienyl)cyclohexyl]pyridine
CID 399892
1-(1-Benzothien-3-ylmethyl)piperidine
CID 832487
5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3041293
1-(3-Phenyl-cyclohex-3-enylmethyl)-4-thiophen-2-yl-1,2,3,6-tetrahydro-pyridine
CID 9974231
N-[2-(4-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817795
Tenocyclidine hydrochloride
CID 16640802
(4-Benzylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanethione
CID 2455027

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of 1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine (CID 42457179) is 1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for 1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for 1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine is CN(Cc1ccsc1)CC1CCN(CCc2ccccc2F)CC1.
What is the InChIKey of 1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is KZELSPPSUQOMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2S/c1-22(15-18-9-13-24-16-18)14-17-6-10-23(11-7-17)12-8-19-4-2-3-5-20(19)21/h2-5,9,13,16-17H,6-8,10-12,14-15H2,1H3.
What are the key properties of 1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine?
1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 346.51 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 42457179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).