(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid

C9H17F3N2O2 — CID 131724002

IUPAC(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
SMILESCN1CCC(CN)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2.C2HF3O2/c1-9-4-2-7(6-8)3-5-9;3-2(4,5)1(6)7/h7H,2-6,8H2,1H3;(H,6,7)
InChIKeyMBVUXJKKSYKRIA-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.92
Rot. Bonds1

About (1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid

(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid (PubChem CID 131724002) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
PubChem CID131724002
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
SMILESCN1CCC(CN)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2.C2HF3O2/c1-9-4-2-7(6-8)3-5-9;3-2(4,5)1(6)7/h7H,2-6,8H2,1H3;(H,6,7)
InChIKeyMBVUXJKKSYKRIA-UHFFFAOYSA-N
XLogP0.92
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Azetidin-1-ylmethyl)piperidine,bis(trifluoroacetic acid)
CID 53484595
N,N-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 18917555
4-Methoxymethylpiperidine trifluoroacetate
CID 22507710
(1-Propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
CID 23018851
Piperidine-4-carbonitrile trifluoroacetate
CID 66657906
N,4-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 67240702
N,N-dimethyl-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 68471258
n-Methyl-n-piperidin-4-ylmethyl-acetamide trifluoroacetate
CID 68476071
4-Ethylpiperidin-4-ol;2,2,2-trifluoroacetic acid
CID 68601859
Piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid
CID 68619391
4-(Difluoromethyl)piperidine;2,2,2-trifluoroacetic acid
CID 68758252
3-[(4-Methylpiperazin-1-yl)methyl]cyclopentan-1-amine;2,2,2-trifluoroacetic acid
CID 68834679

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of (1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid (CID 131724002) is (1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid is CN1CCC(CN)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of (1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is MBVUXJKKSYKRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C2HF3O2/c1-9-4-2-7(6-8)3-5-9;3-2(4,5)1(6)7/h7H,2-6,8H2,1H3;(H,6,7).
What are the key properties of (1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid?
(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 242.24 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 131724002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).