(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine

C13H18ClNO — CID 28750104

IUPAC(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine
SMILESCc1cc(OC[C@@H]2CCCNC2)ccc1Cl
InChIInChI=1S/C13H18ClNO/c1-10-7-12(4-5-13(10)14)16-9-11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3/t11-/m1/s1
InChIKeyTYGBILYJMCFRMG-LLVKDONJSA-N
MW239.75 g/mol
LogP3.03
Rot. Bonds3

About (3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine

(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine (PubChem CID 28750104) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is (3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine
PubChem CID28750104
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine
SMILESCc1cc(OC[C@@H]2CCCNC2)ccc1Cl
InChIInChI=1S/C13H18ClNO/c1-10-7-12(4-5-13(10)14)16-9-11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3/t11-/m1/s1
InChIKeyTYGBILYJMCFRMG-LLVKDONJSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 26190720
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2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
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3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine
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(3S)-3-[(3,4-dimethylphenoxy)methyl]pyrrolidine
CID 86321220
(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
2-chloro-4-(piperidin-3-ylmethoxy)benzamide
CID 62944251
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine?
The IUPAC name of (3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine (CID 28750104) is (3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine.
What is the SMILES notation for (3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine?
The canonical SMILES for (3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine is Cc1cc(OC[C@@H]2CCCNC2)ccc1Cl.
What is the InChIKey of (3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine?
The InChIKey is TYGBILYJMCFRMG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10-7-12(4-5-13(10)14)16-9-11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine?
(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine has a molecular weight of 239.75 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine is sourced from PubChem (CID 28750104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).