(2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine

C14H21NO2 — CID 86324715

IUPAC(2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine
SMILESCOc1ccc(COC[C@@H]2CCCCN2)cc1
InChIInChI=1S/C14H21NO2/c1-16-14-7-5-12(6-8-14)10-17-11-13-4-2-3-9-15-13/h5-8,13,15H,2-4,9-11H2,1H3/t13-/m0/s1
InChIKeyPRWTUNXDWSSXSI-ZDUSSCGKSA-N
MW235.33 g/mol
LogP2.35
Rot. Bonds5

About (2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine

(2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine (PubChem CID 86324715) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine
PubChem CID86324715
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine
SMILESCOc1ccc(COC[C@@H]2CCCCN2)cc1
InChIInChI=1S/C14H21NO2/c1-16-14-7-5-12(6-8-14)10-17-11-13-4-2-3-9-15-13/h5-8,13,15H,2-4,9-11H2,1H3/t13-/m0/s1
InChIKeyPRWTUNXDWSSXSI-ZDUSSCGKSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine
CID 56830572
(2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine
CID 35753990
4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride
CID 142630227
[4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol
CID 106937811
2-[3-(4-methoxyphenyl)propyl]piperidine
CID 65446310
2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine
CID 97163574
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride
CID 71637002
(3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine
CID 86321821
2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine
CID 115071228
2-[(5-chloro-2-methoxyphenyl)methoxymethyl]piperidine
CID 55060618
(2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine
CID 35754010

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine?
The IUPAC name of (2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine (CID 86324715) is (2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine.
What is the SMILES notation for (2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine?
The canonical SMILES for (2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine is COc1ccc(COC[C@@H]2CCCCN2)cc1.
What is the InChIKey of (2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine?
The InChIKey is PRWTUNXDWSSXSI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-14-7-5-12(6-8-14)10-17-11-13-4-2-3-9-15-13/h5-8,13,15H,2-4,9-11H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine?
(2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine has a molecular weight of 235.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine is sourced from PubChem (CID 86324715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).