N-[(1-benzylpiperidin-2-yl)methyl]-N-methyloxan-4-amine;bis(2,2,2-trifluoroacetic acid)

C23H32F6N2O5 — CID 154885592

IUPACN-[(1-benzylpiperidin-2-yl)methyl]-N-methyloxan-4-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(CC1CCCCN1Cc1ccccc1)C1CCOCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H30N2O.2C2HF3O2/c1-20(18-10-13-22-14-11-18)16-19-9-5-6-12-21(19)15-17-7-3-2-4-8-17;2*3-2(4,5)1(6)7/h2-4,7-8,18-19H,5-6,9-16H2,1H3;2*(H,6,7)
InChIKeyMSZLFLIAGFCOHE-UHFFFAOYSA-N
MW530.51 g/mol
LogP4.42
Rot. Bonds5

About N-[(1-benzylpiperidin-2-yl)methyl]-N-methyloxan-4-amine;bis(2,2,2-trifluoroacetic acid)

N-[(1-benzylpiperidin-2-yl)methyl]-N-methyloxan-4-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 154885592) has the molecular formula C23H32F6N2O5 and a molecular weight of 530.51 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-2-yl)methyl]-N-methyloxan-4-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-[(1-benzylpiperidin-2-yl)methyl]-N-methyloxan-4-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID154885592
Molecular FormulaC23H32F6N2O5
Molecular Weight530.51 g/mol
Exact Mass530.22
IUPAC NameN-[(1-benzylpiperidin-2-yl)methyl]-N-methyloxan-4-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(CC1CCCCN1Cc1ccccc1)C1CCOCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H30N2O.2C2HF3O2/c1-20(18-10-13-22-14-11-18)16-19-9-5-6-12-21(19)15-17-7-3-2-4-8-17;2*3-2(4,5)1(6)7/h2-4,7-8,18-19H,5-6,9-16H2,1H3;2*(H,6,7)
InChIKeyMSZLFLIAGFCOHE-UHFFFAOYSA-N
XLogP4.42
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.51
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1-benzylpiperidin-2-yl)methyl]-N-methyloxan-4-amine;bis(2,2,2-trifluoroacetic acid) 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

8-[(4-Ethylphenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 118745368
2-[1-(2-fluorobenzyl)-4-(tetrahydro-2H-pyran-4-yl)-2-piperazinyl]ethanol
CID 45168520
4-[(4-Methylphenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 118746581
8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 118746816
8-[(4-Fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 118747190
(3S,4S)-3-benzyl-4-methoxy-1-(oxan-4-yl)piperidine;2,2,2-trifluoroacetic acid
CID 127022360
(3S,4R)-3-benzyl-4-methoxy-1-(oxan-4-yl)piperidine;2,2,2-trifluoroacetic acid
CID 127022361
(R)-1-phenyl-N2-(tetrahydro-pyran-4-yl)-ethane-1,2-diamine TFA salt
CID 86629533
Ethyl 1-benzylpiperazine-2-carboxylate;2,2,2-trifluoroacetic acid
CID 88031957
Tert-butyl 4-[[(4-fluorophenyl)methyl-(oxan-4-yl)amino]methyl]-4-hydroxypiperidine-1-carboxylate
CID 126506618
1-[(4-Fluorophenyl)methyl]-4-(4-methyloxan-4-yl)piperazine
CID 132158190
1-(4-Ethyloxan-4-yl)-4-[(4-fluorophenyl)methyl]piperazine
CID 132158247

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]-N-methyloxan-4-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]-N-methyloxan-4-amine;bis(2,2,2-trifluoroacetic acid) (CID 154885592) is N-[(1-benzylpiperidin-2-yl)methyl]-N-methyloxan-4-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-[(1-benzylpiperidin-2-yl)methyl]-N-methyloxan-4-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-[(1-benzylpiperidin-2-yl)methyl]-N-methyloxan-4-amine;bis(2,2,2-trifluoroacetic acid) is CN(CC1CCCCN1Cc1ccccc1)C1CCOCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(1-benzylpiperidin-2-yl)methyl]-N-methyloxan-4-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is MSZLFLIAGFCOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.2C2HF3O2/c1-20(18-10-13-22-14-11-18)16-19-9-5-6-12-21(19)15-17-7-3-2-4-8-17;2*3-2(4,5)1(6)7/h2-4,7-8,18-19H,5-6,9-16H2,1H3;2*(H,6,7).
What are the key properties of N-[(1-benzylpiperidin-2-yl)methyl]-N-methyloxan-4-amine;bis(2,2,2-trifluoroacetic acid)?
N-[(1-benzylpiperidin-2-yl)methyl]-N-methyloxan-4-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 530.51 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-2-yl)methyl]-N-methyloxan-4-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 154885592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).