N-benzyl-1,1,1-trifluoro-N-[[(3R)-piperidin-3-yl]methyl]methanamine

C14H19F3N2 — CID 97168574

IUPACN-benzyl-1,1,1-trifluoro-N-[[(3R)-piperidin-3-yl]methyl]methanamine
SMILESFC(F)(F)N(Cc1ccccc1)C[C@@H]1CCCNC1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)19(10-12-5-2-1-3-6-12)11-13-7-4-8-18-9-13/h1-3,5-6,13,18H,4,7-11H2/t13-/m1/s1
InChIKeyZWMCOHBPYBYYIY-CYBMUJFWSA-N
MW272.31 g/mol
LogP3.01
Rot. Bonds4

About N-benzyl-1,1,1-trifluoro-N-[[(3R)-piperidin-3-yl]methyl]methanamine

N-benzyl-1,1,1-trifluoro-N-[[(3R)-piperidin-3-yl]methyl]methanamine (PubChem CID 97168574) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-benzyl-1,1,1-trifluoro-N-[[(3R)-piperidin-3-yl]methyl]methanamine.

Molecular Properties

Compound NameN-benzyl-1,1,1-trifluoro-N-[[(3R)-piperidin-3-yl]methyl]methanamine
PubChem CID97168574
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-benzyl-1,1,1-trifluoro-N-[[(3R)-piperidin-3-yl]methyl]methanamine
SMILESFC(F)(F)N(Cc1ccccc1)C[C@@H]1CCCNC1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)19(10-12-5-2-1-3-6-12)11-13-7-4-8-18-9-13/h1-3,5-6,13,18H,4,7-11H2/t13-/m1/s1
InChIKeyZWMCOHBPYBYYIY-CYBMUJFWSA-N
XLogP3.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
CID 96555707
benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride
CID 67098710
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 119930674
(3R)-N-benzyl-N-cyclopropylpiperidin-3-amine
CID 66569431
N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 56831736
3-(2,2-difluoro-2-phenylethyl)piperidine
CID 116790999
N-methyl-1-phenyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623701
(3S)-N-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648784
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine
CID 96555702
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106623958

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,1,1-trifluoro-N-[[(3R)-piperidin-3-yl]methyl]methanamine?
The IUPAC name of N-benzyl-1,1,1-trifluoro-N-[[(3R)-piperidin-3-yl]methyl]methanamine (CID 97168574) is N-benzyl-1,1,1-trifluoro-N-[[(3R)-piperidin-3-yl]methyl]methanamine.
What is the SMILES notation for N-benzyl-1,1,1-trifluoro-N-[[(3R)-piperidin-3-yl]methyl]methanamine?
The canonical SMILES for N-benzyl-1,1,1-trifluoro-N-[[(3R)-piperidin-3-yl]methyl]methanamine is FC(F)(F)N(Cc1ccccc1)C[C@@H]1CCCNC1.
What is the InChIKey of N-benzyl-1,1,1-trifluoro-N-[[(3R)-piperidin-3-yl]methyl]methanamine?
The InChIKey is ZWMCOHBPYBYYIY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19F3N2/c15-14(16,17)19(10-12-5-2-1-3-6-12)11-13-7-4-8-18-9-13/h1-3,5-6,13,18H,4,7-11H2/t13-/m1/s1.
What are the key properties of N-benzyl-1,1,1-trifluoro-N-[[(3R)-piperidin-3-yl]methyl]methanamine?
N-benzyl-1,1,1-trifluoro-N-[[(3R)-piperidin-3-yl]methyl]methanamine has a molecular weight of 272.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,1,1-trifluoro-N-[[(3R)-piperidin-3-yl]methyl]methanamine is sourced from PubChem (CID 97168574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).