(3R)-3-(4-benzylphenoxy)piperidine

C18H21NO — CID 26191511

IUPAC(3R)-3-(4-benzylphenoxy)piperidine
SMILESc1ccc(Cc2ccc(O[C@@H]3CCCNC3)cc2)cc1
InChIInChI=1S/C18H21NO/c1-2-5-15(6-3-1)13-16-8-10-17(11-9-16)20-18-7-4-12-19-14-18/h1-3,5-6,8-11,18-19H,4,7,12-14H2/t18-/m1/s1
InChIKeyOIWXGWDXIVFCBN-GOSISDBHSA-N
MW267.37 g/mol
LogP3.41
Rot. Bonds4

About (3R)-3-(4-benzylphenoxy)piperidine

(3R)-3-(4-benzylphenoxy)piperidine (PubChem CID 26191511) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (3R)-3-(4-benzylphenoxy)piperidine.

Molecular Properties

Compound Name(3R)-3-(4-benzylphenoxy)piperidine
PubChem CID26191511
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(3R)-3-(4-benzylphenoxy)piperidine
SMILESc1ccc(Cc2ccc(O[C@@H]3CCCNC3)cc2)cc1
InChIInChI=1S/C18H21NO/c1-2-5-15(6-3-1)13-16-8-10-17(11-9-16)20-18-7-4-12-19-14-18/h1-3,5-6,8-11,18-19H,4,7,12-14H2/t18-/m1/s1
InChIKeyOIWXGWDXIVFCBN-GOSISDBHSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-phenoxypiperidine
CID 42553363
2-(4-piperidin-3-yloxyphenyl)ethanamine
CID 165357730
3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride
CID 18357130
3-(4-benzylphenoxy)cyclohexan-1-ol
CID 79599479
3-(4-propoxyphenoxy)piperidine
CID 53409332
4-(4-benzylphenoxy)oxane
CID 142700383
3-(4-tert-butylphenoxy)piperidine;molecular hydrogen
CID 144656061
3-[4-(2-methylbutan-2-yl)phenoxy]piperidine;hydrochloride
CID 56831129
4-[(3R)-piperidin-3-yl]oxybenzamide
CID 42553466
(3S)-3-(2-benzylphenoxy)pyrrolidine
CID 26192029
(3R)-3-(3,4-dimethylphenoxy)piperidine
CID 26191417
3-benzhydryloxypiperidine
CID 2762417

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-benzylphenoxy)piperidine?
The IUPAC name of (3R)-3-(4-benzylphenoxy)piperidine (CID 26191511) is (3R)-3-(4-benzylphenoxy)piperidine.
What is the SMILES notation for (3R)-3-(4-benzylphenoxy)piperidine?
The canonical SMILES for (3R)-3-(4-benzylphenoxy)piperidine is c1ccc(Cc2ccc(O[C@@H]3CCCNC3)cc2)cc1.
What is the InChIKey of (3R)-3-(4-benzylphenoxy)piperidine?
The InChIKey is OIWXGWDXIVFCBN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-5-15(6-3-1)13-16-8-10-17(11-9-16)20-18-7-4-12-19-14-18/h1-3,5-6,8-11,18-19H,4,7,12-14H2/t18-/m1/s1.
What are the key properties of (3R)-3-(4-benzylphenoxy)piperidine?
(3R)-3-(4-benzylphenoxy)piperidine has a molecular weight of 267.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-benzylphenoxy)piperidine is sourced from PubChem (CID 26191511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).