[(2R,3R)-2-methyl-1-phenylpiperidin-3-yl]methanamine

C13H20N2 — CID 96618250

IUPAC[(2R,3R)-2-methyl-1-phenylpiperidin-3-yl]methanamine
SMILESC[C@@H]1[C@@H](CN)CCCN1c1ccccc1
InChIInChI=1S/C13H20N2/c1-11-12(10-14)6-5-9-15(11)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10,14H2,1H3/t11-,12-/m1/s1
InChIKeyMLAXNGUPCAPUNP-VXGBXAGGSA-N
MW204.32 g/mol
LogP2.25
Rot. Bonds2

About [(2R,3R)-2-methyl-1-phenylpiperidin-3-yl]methanamine

[(2R,3R)-2-methyl-1-phenylpiperidin-3-yl]methanamine (PubChem CID 96618250) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is [(2R,3R)-2-methyl-1-phenylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(2R,3R)-2-methyl-1-phenylpiperidin-3-yl]methanamine
PubChem CID96618250
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name[(2R,3R)-2-methyl-1-phenylpiperidin-3-yl]methanamine
SMILESC[C@@H]1[C@@H](CN)CCCN1c1ccccc1
InChIInChI=1S/C13H20N2/c1-11-12(10-14)6-5-9-15(11)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10,14H2,1H3/t11-,12-/m1/s1
InChIKeyMLAXNGUPCAPUNP-VXGBXAGGSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3R)-2-methyl-1-(3-methylphenyl)azepan-3-yl]methanamine
CID 96598379
[(2R,3R)-2-methyl-1-pyridin-2-ylazepan-3-yl]methanamine
CID 96608736
[1-(3-bromophenyl)-2-methylpyrrolidin-3-yl]methanamine
CID 117022217
[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
benzyl (2S,3S)-3-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 125117167
[2-(4-phenylpiperazin-1-yl)cyclopentyl]methanamine
CID 43293527
(2S)-1-phenylpyrrolidine-2-carbaldehyde
CID 173110062
2-methyl-2-[4-(2-methylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 79686677
2-(2-methylpropyl)-1-phenylpyrrolidine
CID 11241145
1-phenyl-N-(1-phenylpyrrolidin-2-yl)pyrrolidin-2-amine
CID 175548020
1,2-diphenylpyrrolidine;ethanol
CID 67627522
2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine
CID 101376496

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-methyl-1-phenylpiperidin-3-yl]methanamine?
The IUPAC name of [(2R,3R)-2-methyl-1-phenylpiperidin-3-yl]methanamine (CID 96618250) is [(2R,3R)-2-methyl-1-phenylpiperidin-3-yl]methanamine.
What is the SMILES notation for [(2R,3R)-2-methyl-1-phenylpiperidin-3-yl]methanamine?
The canonical SMILES for [(2R,3R)-2-methyl-1-phenylpiperidin-3-yl]methanamine is C[C@@H]1[C@@H](CN)CCCN1c1ccccc1.
What is the InChIKey of [(2R,3R)-2-methyl-1-phenylpiperidin-3-yl]methanamine?
The InChIKey is MLAXNGUPCAPUNP-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-12(10-14)6-5-9-15(11)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10,14H2,1H3/t11-,12-/m1/s1.
What are the key properties of [(2R,3R)-2-methyl-1-phenylpiperidin-3-yl]methanamine?
[(2R,3R)-2-methyl-1-phenylpiperidin-3-yl]methanamine has a molecular weight of 204.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-methyl-1-phenylpiperidin-3-yl]methanamine is sourced from PubChem (CID 96618250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).