(3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine

C13H17Cl2NO — CID 46245101

IUPAC(3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine
SMILESCOC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1
InChIInChI=1S/C13H17Cl2NO/c1-17-9-13(5-2-6-16-8-13)10-3-4-11(14)12(15)7-10/h3-4,7,16H,2,5-6,8-9H2,1H3/t13-/m0/s1
InChIKeyYPRRWTPJWYZNTP-ZDUSSCGKSA-N
MW274.19 g/mol
LogP3.26
Rot. Bonds3

About (3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine

(3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine (PubChem CID 46245101) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is (3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine.

Molecular Properties

Compound Name(3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine
PubChem CID46245101
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name(3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine
SMILESCOC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1
InChIInChI=1S/C13H17Cl2NO/c1-17-9-13(5-2-6-16-8-13)10-3-4-11(14)12(15)7-10/h3-4,7,16H,2,5-6,8-9H2,1H3/t13-/m0/s1
InChIKeyYPRRWTPJWYZNTP-ZDUSSCGKSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine?
The IUPAC name of (3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine (CID 46245101) is (3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine.
What is the SMILES notation for (3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine?
The canonical SMILES for (3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine is COC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1.
What is the InChIKey of (3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine?
The InChIKey is YPRRWTPJWYZNTP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-17-9-13(5-2-6-16-8-13)10-3-4-11(14)12(15)7-10/h3-4,7,16H,2,5-6,8-9H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine?
(3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine has a molecular weight of 274.19 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine is sourced from PubChem (CID 46245101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).