(3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine

C12H15ClFNO — CID 66246791

IUPAC(3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine
SMILESFc1ccc(CO[C@H]2CCCNC2)c(Cl)c1
InChIInChI=1S/C12H15ClFNO/c13-12-6-10(14)4-3-9(12)8-16-11-2-1-5-15-7-11/h3-4,6,11,15H,1-2,5,7-8H2/t11-/m0/s1
InChIKeyCISHKURXIVQZCY-NSHDSACASA-N
MW243.71 g/mol
LogP2.75
Rot. Bonds3

About (3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine

(3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine (PubChem CID 66246791) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is (3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine.

Molecular Properties

Compound Name(3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine
PubChem CID66246791
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name(3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine
SMILESFc1ccc(CO[C@H]2CCCNC2)c(Cl)c1
InChIInChI=1S/C12H15ClFNO/c13-12-6-10(14)4-3-9(12)8-16-11-2-1-5-15-7-11/h3-4,6,11,15H,1-2,5,7-8H2/t11-/m0/s1
InChIKeyCISHKURXIVQZCY-NSHDSACASA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine
CID 66245197
3-[(5-fluoro-2-methylphenyl)methoxy]piperidine
CID 112694932
3-[(2,4-difluorophenyl)methoxy]pyrrolidine
CID 56831227
3-[(2,3-dichlorophenyl)methoxy]piperidine
CID 107306986
4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine
CID 62807216
3-fluoro-4-(piperidin-3-yloxymethyl)benzamide
CID 62328013
1-(2-chloro-4-fluorophenyl)-4-piperidin-3-ylbutan-2-one
CID 116562301
2-[(2-chloro-4-fluorophenyl)methoxymethyl]pyrrolidine
CID 62334722
3-[(3-bromo-2-fluorophenyl)methoxy]piperidine
CID 146023940
3-[(2-chloro-4-nitrophenyl)methoxy]pyrrolidine
CID 62327911
2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol
CID 68923378
2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol
CID 68923382

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine?
The IUPAC name of (3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine (CID 66246791) is (3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine.
What is the SMILES notation for (3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine?
The canonical SMILES for (3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine is Fc1ccc(CO[C@H]2CCCNC2)c(Cl)c1.
What is the InChIKey of (3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine?
The InChIKey is CISHKURXIVQZCY-NSHDSACASA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-12-6-10(14)4-3-9(12)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-chloro-4-fluorophenyl)methoxy]piperidine?
(3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine has a molecular weight of 243.71 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine is sourced from PubChem (CID 66246791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).