(3R)-3-[(R)-(3-chloro-2-fluorophenyl)-propoxymethyl]piperidine

C15H21ClFNO — CID 58246954

IUPAC(3R)-3-[(R)-(3-chloro-2-fluorophenyl)-propoxymethyl]piperidine
SMILESCCCO[C@@H](c1cccc(Cl)c1F)[C@@H]1CCCNC1
InChIInChI=1S/C15H21ClFNO/c1-2-9-19-15(11-5-4-8-18-10-11)12-6-3-7-13(16)14(12)17/h3,6-7,11,15,18H,2,4-5,8-10H2,1H3/t11-,15-/m1/s1
InChIKeyAWTHPMSONCBHLO-IAQYHMDHSA-N
MW285.79 g/mol
LogP3.95
Rot. Bonds5

About (3R)-3-[(R)-(3-chloro-2-fluorophenyl)-propoxymethyl]piperidine

(3R)-3-[(R)-(3-chloro-2-fluorophenyl)-propoxymethyl]piperidine (PubChem CID 58246954) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is (3R)-3-[(R)-(3-chloro-2-fluorophenyl)-propoxymethyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[(R)-(3-chloro-2-fluorophenyl)-propoxymethyl]piperidine
PubChem CID58246954
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name(3R)-3-[(R)-(3-chloro-2-fluorophenyl)-propoxymethyl]piperidine
SMILESCCCO[C@@H](c1cccc(Cl)c1F)[C@@H]1CCCNC1
InChIInChI=1S/C15H21ClFNO/c1-2-9-19-15(11-5-4-8-18-10-11)12-6-3-7-13(16)14(12)17/h3,6-7,11,15,18H,2,4-5,8-10H2,1H3/t11-,15-/m1/s1
InChIKeyAWTHPMSONCBHLO-IAQYHMDHSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(R)-(3-chloro-2-fluorophenyl)-propoxymethyl]piperidine?
The IUPAC name of (3R)-3-[(R)-(3-chloro-2-fluorophenyl)-propoxymethyl]piperidine (CID 58246954) is (3R)-3-[(R)-(3-chloro-2-fluorophenyl)-propoxymethyl]piperidine.
What is the SMILES notation for (3R)-3-[(R)-(3-chloro-2-fluorophenyl)-propoxymethyl]piperidine?
The canonical SMILES for (3R)-3-[(R)-(3-chloro-2-fluorophenyl)-propoxymethyl]piperidine is CCCO[C@@H](c1cccc(Cl)c1F)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-3-[(R)-(3-chloro-2-fluorophenyl)-propoxymethyl]piperidine?
The InChIKey is AWTHPMSONCBHLO-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-2-9-19-15(11-5-4-8-18-10-11)12-6-3-7-13(16)14(12)17/h3,6-7,11,15,18H,2,4-5,8-10H2,1H3/t11-,15-/m1/s1.
What are the key properties of (3R)-3-[(R)-(3-chloro-2-fluorophenyl)-propoxymethyl]piperidine?
(3R)-3-[(R)-(3-chloro-2-fluorophenyl)-propoxymethyl]piperidine has a molecular weight of 285.79 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(R)-(3-chloro-2-fluorophenyl)-propoxymethyl]piperidine is sourced from PubChem (CID 58246954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).