1-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine

C21H25N — CID 67978423

IUPAC1-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine
SMILESc1ccc([C@H]2C[C@H](N3CCCCC3)Cc3ccccc32)cc1
InChIInChI=1S/C21H25N/c1-3-9-17(10-4-1)21-16-19(22-13-7-2-8-14-22)15-18-11-5-6-12-20(18)21/h1,3-6,9-12,19,21H,2,7-8,13-16H2/t19-,21-/m1/s1
InChIKeySFLGTDMHQPGBGS-TZIWHRDSSA-N
MW291.44 g/mol
LogP4.62
Rot. Bonds2

About 1-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine

1-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine (PubChem CID 67978423) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine.

Molecular Properties

Compound Name1-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine
PubChem CID67978423
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name1-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine
SMILESc1ccc([C@H]2C[C@H](N3CCCCC3)Cc3ccccc32)cc1
InChIInChI=1S/C21H25N/c1-3-9-17(10-4-1)21-16-19(22-13-7-2-8-14-22)15-18-11-5-6-12-20(18)21/h1,3-6,9-12,19,21H,2,7-8,13-16H2/t19-,21-/m1/s1
InChIKeySFLGTDMHQPGBGS-TZIWHRDSSA-N
XLogP4.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine?
The IUPAC name of 1-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine (CID 67978423) is 1-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine.
What is the SMILES notation for 1-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine?
The canonical SMILES for 1-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine is c1ccc([C@H]2C[C@H](N3CCCCC3)Cc3ccccc32)cc1.
What is the InChIKey of 1-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine?
The InChIKey is SFLGTDMHQPGBGS-TZIWHRDSSA-N. The full InChI is InChI=1S/C21H25N/c1-3-9-17(10-4-1)21-16-19(22-13-7-2-8-14-22)15-18-11-5-6-12-20(18)21/h1,3-6,9-12,19,21H,2,7-8,13-16H2/t19-,21-/m1/s1.
What are the key properties of 1-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine?
1-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine has a molecular weight of 291.44 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine is sourced from PubChem (CID 67978423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).