(3R)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)piperidin-3-amine

C16H23FN2S2 — CID 26315908

IUPAC(3R)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)piperidin-3-amine
SMILESFc1ccc(N[C@@H]2CCCN(C3CSCCSC3)C2)cc1
InChIInChI=1S/C16H23FN2S2/c17-13-3-5-14(6-4-13)18-15-2-1-7-19(10-15)16-11-20-8-9-21-12-16/h3-6,15-16,18H,1-2,7-12H2/t15-/m1/s1
InChIKeyQGODVYMFFLLCAZ-OAHLLOKOSA-N
MW326.51 g/mol
LogP3.55
Rot. Bonds3

About (3R)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)piperidin-3-amine

(3R)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)piperidin-3-amine (PubChem CID 26315908) has the molecular formula C16H23FN2S2 and a molecular weight of 326.51 g/mol. Its IUPAC name is (3R)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)piperidin-3-amine
PubChem CID26315908
Molecular FormulaC16H23FN2S2
Molecular Weight326.51 g/mol
Exact Mass326.13
IUPAC Name(3R)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)piperidin-3-amine
SMILESFc1ccc(N[C@@H]2CCCN(C3CSCCSC3)C2)cc1
InChIInChI=1S/C16H23FN2S2/c17-13-3-5-14(6-4-13)18-15-2-1-7-19(10-15)16-11-20-8-9-21-12-16/h3-6,15-16,18H,1-2,7-12H2/t15-/m1/s1
InChIKeyQGODVYMFFLLCAZ-OAHLLOKOSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-propan-2-ylphenyl)-1-(thian-4-yl)piperidin-3-amine
CID 56718877
ethyl 4-[3-(4-fluoroanilino)piperidin-1-yl]piperidine-1-carboxylate
CID 45245692
(3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-phenylpiperidin-3-amine
CID 26397977
2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 56883388
1-cyclohexyl-N-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-amine
CID 133296240
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-methylsulfanylethanone
CID 42415603
4-(azepan-1-yl)-N-[1-(thiolan-3-yl)piperidin-3-yl]pyrimidin-2-amine
CID 66904297
1-(azepan-1-yl)-2-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 95707310
N-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-3-amine
CID 56913561
(3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine
CID 42525472
1-[4-(thiolan-3-ylamino)phenyl]imidazolidin-2-one
CID 43724834

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)piperidin-3-amine?
The IUPAC name of (3R)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)piperidin-3-amine (CID 26315908) is (3R)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)piperidin-3-amine is Fc1ccc(N[C@@H]2CCCN(C3CSCCSC3)C2)cc1.
What is the InChIKey of (3R)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)piperidin-3-amine?
The InChIKey is QGODVYMFFLLCAZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23FN2S2/c17-13-3-5-14(6-4-13)18-15-2-1-7-19(10-15)16-11-20-8-9-21-12-16/h3-6,15-16,18H,1-2,7-12H2/t15-/m1/s1.
What are the key properties of (3R)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)piperidin-3-amine?
(3R)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)piperidin-3-amine has a molecular weight of 326.51 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)piperidin-3-amine is sourced from PubChem (CID 26315908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).