(2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine

C13H17Cl2NO — CID 35754068

IUPAC(2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine
SMILESClc1ccc(COC[C@@H]2CCCCN2)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c14-11-5-4-10(13(15)7-11)8-17-9-12-3-1-2-6-16-12/h4-5,7,12,16H,1-3,6,8-9H2/t12-/m0/s1
InChIKeyWEVMGEFRWRVDIR-LBPRGKRZSA-N
MW274.19 g/mol
LogP3.65
Rot. Bonds4

About (2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine

(2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine (PubChem CID 35754068) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is (2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine
PubChem CID35754068
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name(2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine
SMILESClc1ccc(COC[C@@H]2CCCCN2)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c14-11-5-4-10(13(15)7-11)8-17-9-12-3-1-2-6-16-12/h4-5,7,12,16H,1-3,6,8-9H2/t12-/m0/s1
InChIKeyWEVMGEFRWRVDIR-LBPRGKRZSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methoxymethyl]pyrrolidine
CID 62334722
2-[(5-chloro-2-methoxyphenyl)methoxymethyl]piperidine
CID 55060618
2-[2-[(2,5-dichlorophenyl)methoxy]ethyl]piperidine
CID 65317213
(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine
CID 35754000
2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine
CID 62333624
(2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine
CID 35754010
(2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane
CID 130474408
2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine
CID 97163574
1-(azepan-2-yl)-2-(2,4-dichlorophenyl)ethanone
CID 116582482
2-chloro-4-[[(2S)-piperidin-2-yl]methoxymethyl]pyrimidine
CID 97163927
2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509719
2-chloro-4-(piperidin-2-ylmethoxymethyl)pyrimidine
CID 71640519

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine?
The IUPAC name of (2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine (CID 35754068) is (2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine.
What is the SMILES notation for (2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine?
The canonical SMILES for (2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine is Clc1ccc(COC[C@@H]2CCCCN2)c(Cl)c1.
What is the InChIKey of (2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine?
The InChIKey is WEVMGEFRWRVDIR-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-11-5-4-10(13(15)7-11)8-17-9-12-3-1-2-6-16-12/h4-5,7,12,16H,1-3,6,8-9H2/t12-/m0/s1.
What are the key properties of (2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine?
(2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine has a molecular weight of 274.19 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine is sourced from PubChem (CID 35754068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).