(2S)-2-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]-3-phenylpropan-1-amine

C17H28N2O — CID 93273066

IUPAC(2S)-2-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]-3-phenylpropan-1-amine
SMILESCN1CCCC[C@H]1CCO[C@H](CN)Cc1ccccc1
InChIInChI=1S/C17H28N2O/c1-19-11-6-5-9-16(19)10-12-20-17(14-18)13-15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14,18H2,1H3/t16-,17-/m0/s1
InChIKeyJURREHZWAKPHTH-IRXDYDNUSA-N
MW276.42 g/mol
LogP2.45
Rot. Bonds7

About (2S)-2-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]-3-phenylpropan-1-amine

(2S)-2-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]-3-phenylpropan-1-amine (PubChem CID 93273066) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (2S)-2-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(2S)-2-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]-3-phenylpropan-1-amine
PubChem CID93273066
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(2S)-2-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]-3-phenylpropan-1-amine
SMILESCN1CCCC[C@H]1CCO[C@H](CN)Cc1ccccc1
InChIInChI=1S/C17H28N2O/c1-19-11-6-5-9-16(19)10-12-20-17(14-18)13-15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14,18H2,1H3/t16-,17-/m0/s1
InChIKeyJURREHZWAKPHTH-IRXDYDNUSA-N
XLogP2.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
1-methyl-2-(3-phenylpropyl)pyrrolidine
CID 15758084
1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913183
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride
CID 57497614
2-(benzhydryloxymethyl)-1-methylpiperidine
CID 23337120
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropane-1,2-diamine
CID 79318693
2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine
CID 69304203
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 61102124
1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine
CID 91843602
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate
CID 107913384

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]-3-phenylpropan-1-amine?
The IUPAC name of (2S)-2-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]-3-phenylpropan-1-amine (CID 93273066) is (2S)-2-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]-3-phenylpropan-1-amine.
What is the SMILES notation for (2S)-2-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]-3-phenylpropan-1-amine?
The canonical SMILES for (2S)-2-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]-3-phenylpropan-1-amine is CN1CCCC[C@H]1CCO[C@H](CN)Cc1ccccc1.
What is the InChIKey of (2S)-2-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]-3-phenylpropan-1-amine?
The InChIKey is JURREHZWAKPHTH-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19-11-6-5-9-16(19)10-12-20-17(14-18)13-15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14,18H2,1H3/t16-,17-/m0/s1.
What are the key properties of (2S)-2-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]-3-phenylpropan-1-amine?
(2S)-2-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]-3-phenylpropan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]-3-phenylpropan-1-amine is sourced from PubChem (CID 93273066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).