[(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride

C19H26ClF3N2O — CID 120641199

IUPAC[(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)CCN1.Cl
InChIInChI=1S/C19H25F3N2O.ClH/c1-13-12-16(6-9-23-13)18(25)24-10-7-15(8-11-24)14-2-4-17(5-3-14)19(20,21)22;/h2-5,13,15-16,23H,6-12H2,1H3;1H/t13-,16-;/m0./s1
InChIKeyINVLHLZQKKTONL-LINSIKMZSA-N
MW390.88 g/mol
LogP4.22
Rot. Bonds2

About [(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride

[(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride (PubChem CID 120641199) has the molecular formula C19H26ClF3N2O and a molecular weight of 390.88 g/mol. Its IUPAC name is [(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride
PubChem CID120641199
Molecular FormulaC19H26ClF3N2O
Molecular Weight390.88 g/mol
Exact Mass390.17
IUPAC Name[(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)CCN1.Cl
InChIInChI=1S/C19H25F3N2O.ClH/c1-13-12-16(6-9-23-13)18(25)24-10-7-15(8-11-24)14-2-4-17(5-3-14)19(20,21)22;/h2-5,13,15-16,23H,6-12H2,1H3;1H/t13-,16-;/m0./s1
InChIKeyINVLHLZQKKTONL-LINSIKMZSA-N
XLogP4.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120637111
(2-methylpiperidin-4-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 106740744
(4,4-difluoropyrrolidin-2-yl)-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 120955413
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
[2-(4-fluorophenyl)morpholin-4-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120615823
[4-(4-methylbenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120620493
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120636397
[4-(1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120631960
[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 120625537
1,3-dihydroisoindol-2-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120631484
3-amino-1-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 120874023
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619320

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride (CID 120641199) is [(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride is C[C@H]1C[C@@H](C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)CCN1.Cl.
What is the InChIKey of [(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride?
The InChIKey is INVLHLZQKKTONL-LINSIKMZSA-N. The full InChI is InChI=1S/C19H25F3N2O.ClH/c1-13-12-16(6-9-23-13)18(25)24-10-7-15(8-11-24)14-2-4-17(5-3-14)19(20,21)22;/h2-5,13,15-16,23H,6-12H2,1H3;1H/t13-,16-;/m0./s1.
What are the key properties of [(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride?
[(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride has a molecular weight of 390.88 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120641199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).