(3-amino-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone

C14H17F3N2O2 — CID 116629082

IUPAC(3-amino-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESCC1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1N
InChIInChI=1S/C14H17F3N2O2/c1-9-6-7-19(8-12(9)18)13(20)10-2-4-11(5-3-10)21-14(15,16)17/h2-5,9,12H,6-8,18H2,1H3
InChIKeyUICYRKQJPNQZAQ-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.39
Rot. Bonds2

About (3-amino-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone

(3-amino-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 116629082) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is (3-amino-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(3-amino-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID116629082
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name(3-amino-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESCC1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1N
InChIInChI=1S/C14H17F3N2O2/c1-9-6-7-19(8-12(9)18)13(20)10-2-4-11(5-3-10)21-14(15,16)17/h2-5,9,12H,6-8,18H2,1H3
InChIKeyUICYRKQJPNQZAQ-UHFFFAOYSA-N
XLogP2.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119380259
[(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 104891401
(3-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119579326
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 124592579
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 106671585
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 124575485
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 119545556
(3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 107672067
(2S)-4-[4-(trifluoromethoxy)benzoyl]piperazine-2-carboxylic acid
CID 138665349
(3-amino-4-methylpiperidin-1-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82879192
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 114960591
[4-(2-methylpropylsulfonyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 90590063

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (3-amino-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone (CID 116629082) is (3-amino-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (3-amino-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (3-amino-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone is CC1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1N.
What is the InChIKey of (3-amino-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is UICYRKQJPNQZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9-6-7-19(8-12(9)18)13(20)10-2-4-11(5-3-10)21-14(15,16)17/h2-5,9,12H,6-8,18H2,1H3.
What are the key properties of (3-amino-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone?
(3-amino-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 302.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 116629082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).