[4-(aminomethyl)piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride

C11H18ClF3N2O — CID 166513702

IUPAC[4-(aminomethyl)piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)C2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H17F3N2O.ClH/c12-11(13,14)10(3-4-10)9(17)16-5-1-8(7-15)2-6-16;/h8H,1-7,15H2;1H
InChIKeyWJAYAVZWCLNRJR-UHFFFAOYSA-N
MW286.73 g/mol
LogP1.95
Rot. Bonds2

About [4-(aminomethyl)piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride

[4-(aminomethyl)piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride (PubChem CID 166513702) has the molecular formula C11H18ClF3N2O and a molecular weight of 286.73 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride
PubChem CID166513702
Molecular FormulaC11H18ClF3N2O
Molecular Weight286.73 g/mol
Exact Mass286.11
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)C2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H17F3N2O.ClH/c12-11(13,14)10(3-4-10)9(17)16-5-1-8(7-15)2-6-16;/h8H,1-7,15H2;1H
InChIKeyWJAYAVZWCLNRJR-UHFFFAOYSA-N
XLogP1.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(aminomethyl)piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-hydroxypiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 166513698
(3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 166513724
1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride
CID 54595642
pyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone
CID 130382404
[(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 175876207
1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid
CID 175285784
[4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 166001503
1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride
CID 119423614
[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 90017093
1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone
CID 68628787
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357
(3-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride
CID 166513714

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride (CID 166513702) is [4-(aminomethyl)piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride is Cl.NCC1CCN(C(=O)C2(C(F)(F)F)CC2)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride?
The InChIKey is WJAYAVZWCLNRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O.ClH/c12-11(13,14)10(3-4-10)9(17)16-5-1-8(7-15)2-6-16;/h8H,1-7,15H2;1H.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride?
[4-(aminomethyl)piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride has a molecular weight of 286.73 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride is sourced from PubChem (CID 166513702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).