3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine

C16H24FN3O3S — CID 170319766

IUPAC3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine
SMILESNC1(F)CCCN(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C16H24FN3O3S/c17-16(18)6-1-7-19(13-16)12-14-2-4-15(5-3-14)24(21,22)20-8-10-23-11-9-20/h2-5H,1,6-13,18H2
InChIKeyIHLMVGHJVHNNCC-UHFFFAOYSA-N
MW357.45 g/mol
LogP0.93
Rot. Bonds4

About 3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine

3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine (PubChem CID 170319766) has the molecular formula C16H24FN3O3S and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine
PubChem CID170319766
Molecular FormulaC16H24FN3O3S
Molecular Weight357.45 g/mol
Exact Mass357.15
IUPAC Name3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine
SMILESNC1(F)CCCN(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C16H24FN3O3S/c17-16(18)6-1-7-19(13-16)12-14-2-4-15(5-3-14)24(21,22)20-8-10-23-11-9-20/h2-5H,1,6-13,18H2
InChIKeyIHLMVGHJVHNNCC-UHFFFAOYSA-N
XLogP0.93
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307348
4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307442
4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine
CID 163259232
(3R,4R)-4-ethyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3,4-diol
CID 70704257
4-[4-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 170669176
4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine
CID 71063992
(4-morpholin-4-ylsulfonylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 26467896
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
CID 55929411
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
CID 126320858
4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine
CID 28719609
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55961209
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine?
The IUPAC name of 3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine (CID 170319766) is 3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for 3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine?
The canonical SMILES for 3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine is NC1(F)CCCN(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1.
What is the InChIKey of 3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine?
The InChIKey is IHLMVGHJVHNNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3S/c17-16(18)6-1-7-19(13-16)12-14-2-4-15(5-3-14)24(21,22)20-8-10-23-11-9-20/h2-5H,1,6-13,18H2.
What are the key properties of 3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine?
3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine has a molecular weight of 357.45 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 170319766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).