(3S,4R)-4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperidine

C22H26FNO — CID 139721977

IUPAC(3S,4R)-4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperidine
SMILESFc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C22H26FNO/c23-20-8-5-17(6-9-20)22-11-12-24-14-19(22)15-25-21-10-7-16-3-1-2-4-18(16)13-21/h5-10,13,19,22,24H,1-4,11-12,14-15H2/t19-,22-/m0/s1
InChIKeyMYVUBCLECLNIHI-UGKGYDQZSA-N
MW339.45 g/mol
LogP4.48
Rot. Bonds4

About (3S,4R)-4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperidine

(3S,4R)-4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperidine (PubChem CID 139721977) has the molecular formula C22H26FNO and a molecular weight of 339.45 g/mol. Its IUPAC name is (3S,4R)-4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperidine.

Molecular Properties

Compound Name(3S,4R)-4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperidine
PubChem CID139721977
Molecular FormulaC22H26FNO
Molecular Weight339.45 g/mol
Exact Mass339.20
IUPAC Name(3S,4R)-4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperidine
SMILESFc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C22H26FNO/c23-20-8-5-17(6-9-20)22-11-12-24-14-19(22)15-25-21-10-7-16-3-1-2-4-18(16)13-21/h5-10,13,19,22,24H,1-4,11-12,14-15H2/t19-,22-/m0/s1
InChIKeyMYVUBCLECLNIHI-UGKGYDQZSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperidine?
The IUPAC name of (3S,4R)-4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperidine (CID 139721977) is (3S,4R)-4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperidine.
What is the SMILES notation for (3S,4R)-4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperidine?
The canonical SMILES for (3S,4R)-4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperidine is Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of (3S,4R)-4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperidine?
The InChIKey is MYVUBCLECLNIHI-UGKGYDQZSA-N. The full InChI is InChI=1S/C22H26FNO/c23-20-8-5-17(6-9-20)22-11-12-24-14-19(22)15-25-21-10-7-16-3-1-2-4-18(16)13-21/h5-10,13,19,22,24H,1-4,11-12,14-15H2/t19-,22-/m0/s1.
What are the key properties of (3S,4R)-4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperidine?
(3S,4R)-4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperidine has a molecular weight of 339.45 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperidine is sourced from PubChem (CID 139721977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).