(2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one

C12H21F3N2O — CID 103831247

IUPAC(2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-2-3-4-10(16)11(18)17-7-5-9(6-8-17)12(13,14)15/h9-10H,2-8,16H2,1H3/t10-/m0/s1
InChIKeyMHXKZNJTXJNDPU-JTQLQIEISA-N
MW266.31 g/mol
LogP2.30
Rot. Bonds4

About (2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one

(2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one (PubChem CID 103831247) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one
PubChem CID103831247
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name(2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-2-3-4-10(16)11(18)17-7-5-9(6-8-17)12(13,14)15/h9-10H,2-8,16H2,1H3/t10-/m0/s1
InChIKeyMHXKZNJTXJNDPU-JTQLQIEISA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805
(2S)-2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 103831654
(2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one
CID 103831470
2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 63626506
2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid
CID 107145977
1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 93370949
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one
CID 107146417
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide
CID 54928386
2-amino-3,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 77073242
1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea
CID 175151370
1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide
CID 60963512

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one (CID 103831247) is (2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one is CCCC[C@H](N)C(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one?
The InChIKey is MHXKZNJTXJNDPU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-2-3-4-10(16)11(18)17-7-5-9(6-8-17)12(13,14)15/h9-10H,2-8,16H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one?
(2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one has a molecular weight of 266.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 103831247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).