N-[[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine

C20H25FN2S — CID 130453456

IUPACN-[[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
SMILESFC1(CNC2CC2c2ccccc2)CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H25FN2S/c21-20(7-9-23(10-8-20)13-16-6-11-24-14-16)15-22-19-12-18(19)17-4-2-1-3-5-17/h1-6,11,14,18-19,22H,7-10,12-13,15H2
InChIKeyJZTATLSBZBCYED-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.20
Rot. Bonds6

About N-[[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine

N-[[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine (PubChem CID 130453456) has the molecular formula C20H25FN2S and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
PubChem CID130453456
Molecular FormulaC20H25FN2S
Molecular Weight344.50 g/mol
Exact Mass344.17
IUPAC NameN-[[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
SMILESFC1(CNC2CC2c2ccccc2)CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H25FN2S/c21-20(7-9-23(10-8-20)13-16-6-11-24-14-16)15-22-19-12-18(19)17-4-2-1-3-5-17/h1-6,11,14,18-19,22H,7-10,12-13,15H2
InChIKeyJZTATLSBZBCYED-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
1-(4,5-Bis(4-(tert-butyl)phenyl)thiophen-2-yl)-N-(piperidin-4-ylmethyl)methanamine
CID 155536635
N-[2-(4-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817795
7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridine
CID 14548167
2-(4-(propan-2-yl)phenyl)-2-(4H,5H,6H,7H-thieno(3,2-c)pyridin-5-yl)ethan-1-amine
CID 43180384
4-cyclopropyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485297
4-(4-fluorophenyl)-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 42773975
N-benzyl-8-[5-[4-(benzylamino)butyl]thiophen-2-yl]octan-1-amine
CID 44424647
(4S,9aS)-4-phenyl-4,5,7,8,9,9a-hexahydrothieno[2,3-g]indolizine;hydrobromide
CID 54584696

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of N-[[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine (CID 130453456) is N-[[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for N-[[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for N-[[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine is FC1(CNC2CC2c2ccccc2)CCN(Cc2ccsc2)CC1.
What is the InChIKey of N-[[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is JZTATLSBZBCYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2S/c21-20(7-9-23(10-8-20)13-16-6-11-24-14-16)15-22-19-12-18(19)17-4-2-1-3-5-17/h1-6,11,14,18-19,22H,7-10,12-13,15H2.
What are the key properties of N-[[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
N-[[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 344.50 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 130453456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).