N-(4-chlorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)-1-methylpiperidin-4-amine

C19H22ClFN2S — CID 142212438

IUPACN-(4-chlorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)-1-methylpiperidin-4-amine
SMILESCc1ccc(F)cc1N(Sc1ccc(Cl)cc1)C1CCN(C)CC1
InChIInChI=1S/C19H22ClFN2S/c1-14-3-6-16(21)13-19(14)23(17-9-11-22(2)12-10-17)24-18-7-4-15(20)5-8-18/h3-8,13,17H,9-12H2,1-2H3
InChIKeyIDQQZDOTBXCTBS-UHFFFAOYSA-N
MW364.92 g/mol
LogP5.40
Rot. Bonds4

About N-(4-chlorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)-1-methylpiperidin-4-amine

N-(4-chlorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)-1-methylpiperidin-4-amine (PubChem CID 142212438) has the molecular formula C19H22ClFN2S and a molecular weight of 364.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)-1-methylpiperidin-4-amine
PubChem CID142212438
Molecular FormulaC19H22ClFN2S
Molecular Weight364.92 g/mol
Exact Mass364.12
IUPAC NameN-(4-chlorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)-1-methylpiperidin-4-amine
SMILESCc1ccc(F)cc1N(Sc1ccc(Cl)cc1)C1CCN(C)CC1
InChIInChI=1S/C19H22ClFN2S/c1-14-3-6-16(21)13-19(14)23(17-9-11-22(2)12-10-17)24-18-7-4-15(20)5-8-18/h3-8,13,17H,9-12H2,1-2H3
InChIKeyIDQQZDOTBXCTBS-UHFFFAOYSA-N
XLogP5.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.92
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 24906061
CID 24906061
CID 91800815
CID 91800815
CID 145966143
CID 145966143
CID 145977714
CID 145977714
CID 18141524
CID 18141524
CID 4390369
CID 4390369
CID 2931559
CID 2931559
CID 12645574
CID 12645574
CID 44439053
CID 44439053
CID 122188542
CID 122188542
CID 1306227
CID 1306227
CID 975323
CID 975323

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)-1-methylpiperidin-4-amine (CID 142212438) is N-(4-chlorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)-1-methylpiperidin-4-amine is Cc1ccc(F)cc1N(Sc1ccc(Cl)cc1)C1CCN(C)CC1.
What is the InChIKey of N-(4-chlorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)-1-methylpiperidin-4-amine?
The InChIKey is IDQQZDOTBXCTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2S/c1-14-3-6-16(21)13-19(14)23(17-9-11-22(2)12-10-17)24-18-7-4-15(20)5-8-18/h3-8,13,17H,9-12H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)-1-methylpiperidin-4-amine?
N-(4-chlorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)-1-methylpiperidin-4-amine has a molecular weight of 364.92 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 142212438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).