(2R)-1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine

C22H29NO — CID 168859772

IUPAC(2R)-1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine
SMILESC[C@@H]1CCCCN1[C@@H](C)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C22H29NO/c1-18-10-8-9-15-23(18)19(2)17-24-22-14-7-6-13-21(22)16-20-11-4-3-5-12-20/h3-7,11-14,18-19H,8-10,15-17H2,1-2H3/t18-,19+/m1/s1
InChIKeyWETOQNRQZCDGOP-MOPGFXCFSA-N
MW323.48 g/mol
LogP4.92
Rot. Bonds6

About (2R)-1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine

(2R)-1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine (PubChem CID 168859772) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is (2R)-1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine.

Molecular Properties

Compound Name(2R)-1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine
PubChem CID168859772
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name(2R)-1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine
SMILESC[C@@H]1CCCCN1[C@@H](C)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C22H29NO/c1-18-10-8-9-15-23(18)19(2)17-24-22-14-7-6-13-21(22)16-20-11-4-3-5-12-20/h3-7,11-14,18-19H,8-10,15-17H2,1-2H3/t18-,19+/m1/s1
InChIKeyWETOQNRQZCDGOP-MOPGFXCFSA-N
XLogP4.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine 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

1-[1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine;hydrochloride
CID 169088627
1-[(2R)-1-(2-benzylphenoxy)propan-2-yl]piperidine;phosphoric acid
CID 76969563
1-[1-(2-benzylphenoxy)ethyl]pyrrolidine
CID 18678292
1-(2-benzylphenoxy)propan-2-yl-diethyl-methylazanium
CID 23781
(6S)-5-[(2R)-1-(2-benzylphenoxy)propan-2-yl]-6-methyl-7,9,10-trioxa-5-aza-8λ5-phosphatricyclo[6.1.1.01,6]decane 8-oxide
CID 168859775
N-[2-(2-benzylphenoxy)ethyl]propan-2-amine
CID 62598105
1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(2-benzylphenoxy)ethanone
CID 124693951
1-(2-benzylphenoxy)propan-2-yl-diethyl-methylazanium iodide
CID 23780
1-(2-methylpiperidin-1-yl)-3-[2-(thiophen-2-ylmethyl)phenoxy]propan-2-ol
CID 13277420
2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135052
2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
CID 78760780
1-[1-(2-benzylphenoxy)propan-2-yl]piperidin-1-ium phosphate
CID 139596027

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine?
The IUPAC name of (2R)-1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine (CID 168859772) is (2R)-1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine.
What is the SMILES notation for (2R)-1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine?
The canonical SMILES for (2R)-1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine is C[C@@H]1CCCCN1[C@@H](C)COc1ccccc1Cc1ccccc1.
What is the InChIKey of (2R)-1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine?
The InChIKey is WETOQNRQZCDGOP-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H29NO/c1-18-10-8-9-15-23(18)19(2)17-24-22-14-7-6-13-21(22)16-20-11-4-3-5-12-20/h3-7,11-14,18-19H,8-10,15-17H2,1-2H3/t18-,19+/m1/s1.
What are the key properties of (2R)-1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine?
(2R)-1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine has a molecular weight of 323.48 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine is sourced from PubChem (CID 168859772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).