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

C12H20ClF3N2O — CID 119707264

IUPAC[(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C([C@@H]1CCCCN1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O.ClH/c13-12(14,15)9-4-7-17(8-5-9)11(18)10-3-1-2-6-16-10;/h9-10,16H,1-8H2;1H/t10-;/m0./s1
InChIKeyKMTDXWLEQQPPGB-PPHPATTJSA-N
MW300.75 g/mol
LogP2.35
Rot. Bonds1

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

[(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119707264) has the molecular formula C12H20ClF3N2O and a molecular weight of 300.75 g/mol. Its IUPAC name is [(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119707264
Molecular FormulaC12H20ClF3N2O
Molecular Weight300.75 g/mol
Exact Mass300.12
IUPAC Name[(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C([C@@H]1CCCCN1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O.ClH/c13-12(14,15)9-4-7-17(8-5-9)11(18)10-3-1-2-6-16-10;/h9-10,16H,1-8H2;1H/t10-;/m0./s1
InChIKeyKMTDXWLEQQPPGB-PPHPATTJSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119707243
[(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 129320770
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
(4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119311371
(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
[(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 129365590
(4-aminopiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 154266528
[4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride
CID 119958508
(4-tert-butylazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119326041

Frequently Asked Questions

What is the IUPAC name of [(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride (CID 119707264) is [(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride is Cl.O=C([C@@H]1CCCCN1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of [(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is KMTDXWLEQQPPGB-PPHPATTJSA-N. The full InChI is InChI=1S/C12H19F3N2O.ClH/c13-12(14,15)9-4-7-17(8-5-9)11(18)10-3-1-2-6-16-10;/h9-10,16H,1-8H2;1H/t10-;/m0./s1.
What are the key properties of [(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
[(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 300.75 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119707264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).