(2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine

C19H23NO — CID 169114961

IUPAC(2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine
SMILESC[C@H]1CC[C@H](c2ccc(OCc3ccccc3)cc2)NC1
InChIInChI=1S/C19H23NO/c1-15-7-12-19(20-13-15)17-8-10-18(11-9-17)21-14-16-5-3-2-4-6-16/h2-6,8-11,15,19-20H,7,12-14H2,1H3/t15-,19+/m0/s1
InChIKeyMBQJKPZXAAJIHO-HNAYVOBHSA-N
MW281.40 g/mol
LogP4.33
Rot. Bonds4

About (2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine

(2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine (PubChem CID 169114961) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine.

Molecular Properties

Compound Name(2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine
PubChem CID169114961
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine
SMILESC[C@H]1CC[C@H](c2ccc(OCc3ccccc3)cc2)NC1
InChIInChI=1S/C19H23NO/c1-15-7-12-19(20-13-15)17-8-10-18(11-9-17)21-14-16-5-3-2-4-6-16/h2-6,8-11,15,19-20H,7,12-14H2,1H3/t15-,19+/m0/s1
InChIKeyMBQJKPZXAAJIHO-HNAYVOBHSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride
CID 171196929
(2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196054
(2S)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196463
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
(2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine
CID 171348097
2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide
CID 169115093
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine
CID 21421702
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
CID 130539986
5-methyl-2-(2-phenylethyl)piperidine
CID 81320090
1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene
CID 125154534

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine?
The IUPAC name of (2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine (CID 169114961) is (2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine.
What is the SMILES notation for (2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine?
The canonical SMILES for (2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine is C[C@H]1CC[C@H](c2ccc(OCc3ccccc3)cc2)NC1.
What is the InChIKey of (2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine?
The InChIKey is MBQJKPZXAAJIHO-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H23NO/c1-15-7-12-19(20-13-15)17-8-10-18(11-9-17)21-14-16-5-3-2-4-6-16/h2-6,8-11,15,19-20H,7,12-14H2,1H3/t15-,19+/m0/s1.
What are the key properties of (2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine?
(2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine has a molecular weight of 281.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine is sourced from PubChem (CID 169114961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).