(3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine

C12H15Cl2NO — CID 66245197

IUPAC(3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine
SMILESClc1ccc(CO[C@H]2CCCNC2)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c13-10-4-3-9(12(14)6-10)8-16-11-2-1-5-15-7-11/h3-4,6,11,15H,1-2,5,7-8H2/t11-/m0/s1
InChIKeySOLSRSFSAGMWKT-NSHDSACASA-N
MW260.16 g/mol
LogP3.26
Rot. Bonds3

About (3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine

(3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine (PubChem CID 66245197) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is (3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine.

Molecular Properties

Compound Name(3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine
PubChem CID66245197
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name(3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine
SMILESClc1ccc(CO[C@H]2CCCNC2)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c13-10-4-3-9(12(14)6-10)8-16-11-2-1-5-15-7-11/h3-4,6,11,15H,1-2,5,7-8H2/t11-/m0/s1
InChIKeySOLSRSFSAGMWKT-NSHDSACASA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine
CID 66246791
(3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine
CID 86320757
3-[(2,3-dichlorophenyl)methoxy]piperidine
CID 107306986
3-[(2-chloro-4-nitrophenyl)methoxy]pyrrolidine
CID 62327911
(3S)-3-(2,5-dichlorophenoxy)piperidine
CID 26191322
3-fluoro-4-(piperidin-3-yloxymethyl)benzamide
CID 62328013
3-[(5-fluoro-2-methylphenyl)methoxy]piperidine
CID 112694932
2-[2-(piperidin-3-yloxymethyl)phenyl]acetic acid
CID 106939316
3-[(2-bromo-4-nitrophenyl)methoxy]piperidine
CID 62329388
2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119459765
3-[(2,4-difluorophenyl)methoxy]pyrrolidine
CID 56831227
3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine;hydrochloride
CID 71640792

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine?
The IUPAC name of (3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine (CID 66245197) is (3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine.
What is the SMILES notation for (3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine?
The canonical SMILES for (3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine is Clc1ccc(CO[C@H]2CCCNC2)c(Cl)c1.
What is the InChIKey of (3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine?
The InChIKey is SOLSRSFSAGMWKT-NSHDSACASA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-10-4-3-9(12(14)6-10)8-16-11-2-1-5-15-7-11/h3-4,6,11,15H,1-2,5,7-8H2/t11-/m0/s1.
What are the key properties of (3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine?
(3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine has a molecular weight of 260.16 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-[(2,4-dichlorophenyl)methoxy]piperidine is sourced from PubChem (CID 66245197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).