(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine

C15H24N2 — CID 81350574

IUPAC(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
SMILESC[C@@H](NCC1CCCN(C)C1)c1ccccc1
InChIInChI=1S/C15H24N2/c1-13(15-8-4-3-5-9-15)16-11-14-7-6-10-17(2)12-14/h3-5,8-9,13-14,16H,6-7,10-12H2,1-2H3/t13-,14?/m1/s1
InChIKeyJAWXNAWYBBPTGZ-KWCCSABGSA-N
MW232.37 g/mol
LogP2.68
Rot. Bonds4

About (1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine

(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine (PubChem CID 81350574) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
PubChem CID81350574
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
SMILESC[C@@H](NCC1CCCN(C)C1)c1ccccc1
InChIInChI=1S/C15H24N2/c1-13(15-8-4-3-5-9-15)16-11-14-7-6-10-17(2)12-14/h3-5,8-9,13-14,16H,6-7,10-12H2,1-2H3/t13-,14?/m1/s1
InChIKeyJAWXNAWYBBPTGZ-KWCCSABGSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81379189
N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 62090707
N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethane-1,2-diamine
CID 62656324
(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81403787
1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 113437537
2-[(1-methylpiperidin-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167281
1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
CID 114829632
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine
CID 60856064
N-[[1-(2-phenylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240509
(2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 104897742
3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile
CID 64538451
1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine (CID 81350574) is (1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine is C[C@@H](NCC1CCCN(C)C1)c1ccccc1.
What is the InChIKey of (1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine?
The InChIKey is JAWXNAWYBBPTGZ-KWCCSABGSA-N. The full InChI is InChI=1S/C15H24N2/c1-13(15-8-4-3-5-9-15)16-11-14-7-6-10-17(2)12-14/h3-5,8-9,13-14,16H,6-7,10-12H2,1-2H3/t13-,14?/m1/s1.
What are the key properties of (1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine?
(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine is sourced from PubChem (CID 81350574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).