(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine

C12H15Cl2NO — CID 26190720

IUPAC(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
SMILESClc1ccc(OC[C@@H]2CCCNC2)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c13-11-4-3-10(6-12(11)14)16-8-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2/t9-/m1/s1
InChIKeyPROCWWGLYCWNJS-SECBINFHSA-N
MW260.16 g/mol
LogP3.37
Rot. Bonds3

About (3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine

(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine (PubChem CID 26190720) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is (3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
PubChem CID26190720
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
SMILESClc1ccc(OC[C@@H]2CCCNC2)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c13-11-4-3-10(6-12(11)14)16-8-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2/t9-/m1/s1
InChIKeyPROCWWGLYCWNJS-SECBINFHSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine
CID 28750104
3-[(3,4-dichlorophenoxy)methyl]azetidine
CID 71133730
2-chloro-4-(piperidin-3-ylmethoxy)benzamide
CID 62944251
(3R)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190858
3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine
CID 58992633
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine
CID 26190671
(3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine
CID 42427116
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
3-[(4-bromo-3-fluorophenoxy)methyl]piperidine
CID 65203857
5-(piperidin-3-ylmethoxy)-1H-indazole
CID 117051742

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine?
The IUPAC name of (3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine (CID 26190720) is (3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine.
What is the SMILES notation for (3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine?
The canonical SMILES for (3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine is Clc1ccc(OC[C@@H]2CCCNC2)cc1Cl.
What is the InChIKey of (3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine?
The InChIKey is PROCWWGLYCWNJS-SECBINFHSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-11-4-3-10(6-12(11)14)16-8-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2/t9-/m1/s1.
What are the key properties of (3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine?
(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine has a molecular weight of 260.16 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine is sourced from PubChem (CID 26190720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).