[3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone

C14H17F3N2OS — CID 119491013

IUPAC[3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone
SMILESCNC1CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1
InChIInChI=1S/C14H17F3N2OS/c1-18-11-3-2-8-19(9-11)13(20)10-4-6-12(7-5-10)21-14(15,16)17/h4-7,11,18H,2-3,8-9H2,1H3
InChIKeyYHHZHZQDURGQPG-UHFFFAOYSA-N
MW318.36 g/mol
LogP3.12
Rot. Bonds3

About [3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone

[3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone (PubChem CID 119491013) has the molecular formula C14H17F3N2OS and a molecular weight of 318.36 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone
PubChem CID119491013
Molecular FormulaC14H17F3N2OS
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC Name[3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone
SMILESCNC1CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1
InChIInChI=1S/C14H17F3N2OS/c1-18-11-3-2-8-19(9-11)13(20)10-4-6-12(7-5-10)21-14(15,16)17/h4-7,11,18H,2-3,8-9H2,1H3
InChIKeyYHHZHZQDURGQPG-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone;hydrochloride
CID 119397113
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 124575485
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 124575021
[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119491784
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583
4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile
CID 62534463
[3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 119490982
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
[4-fluoro-3-(trifluoromethyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492576
[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119491620

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone (CID 119491013) is [3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone is CNC1CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone?
The InChIKey is YHHZHZQDURGQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2OS/c1-18-11-3-2-8-19(9-11)13(20)10-4-6-12(7-5-10)21-14(15,16)17/h4-7,11,18H,2-3,8-9H2,1H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone?
[3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone has a molecular weight of 318.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone is sourced from PubChem (CID 119491013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).