(1S,5R)-3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octane

C15H21N — CID 124522672

IUPAC(1S,5R)-3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octane
SMILESCc1cc(C)cc(C2C[C@H]3CC[C@@H](C2)N3)c1
InChIInChI=1S/C15H21N/c1-10-5-11(2)7-12(6-10)13-8-14-3-4-15(9-13)16-14/h5-7,13-16H,3-4,8-9H2,1-2H3/t13?,14-,15+
InChIKeyHMKIFXGOXRNSJP-GOOCMWNKSA-N
MW215.34 g/mol
LogP3.30
Rot. Bonds1

About (1S,5R)-3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octane

(1S,5R)-3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octane (PubChem CID 124522672) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (1S,5R)-3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octane
PubChem CID124522672
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(1S,5R)-3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octane
SMILESCc1cc(C)cc(C2C[C@H]3CC[C@@H](C2)N3)c1
InChIInChI=1S/C15H21N/c1-10-5-11(2)7-12(6-10)13-8-14-3-4-15(9-13)16-14/h5-7,13-16H,3-4,8-9H2,1-2H3/t13?,14-,15+
InChIKeyHMKIFXGOXRNSJP-GOOCMWNKSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Benzylpiperidine
CID 31738
2-Benzylpiperidine
CID 118004
3-Phenylpyrrolidine
CID 3146743
Enefexine
CID 208916
3-Phenylpiperidine hydrochloride
CID 17390008
4-Phenylpiperidine
CID 69873
3-Phenylpiperidine
CID 107207
3-(3,5-Dimethylphenyl)piperidine
CID 10035413
3-(3,4-Dimethylphenyl)piperidine
CID 10103976
3-Phenyl-8-azabicyclo[3.2.1]oct-2-ene
CID 10154356
3-(2,3-Dimethylphenyl)piperidine
CID 10679213
4-(3-Phenylpropyl)piperidine
CID 87678

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octane (CID 124522672) is (1S,5R)-3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octane is Cc1cc(C)cc(C2C[C@H]3CC[C@@H](C2)N3)c1.
What is the InChIKey of (1S,5R)-3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is HMKIFXGOXRNSJP-GOOCMWNKSA-N. The full InChI is InChI=1S/C15H21N/c1-10-5-11(2)7-12(6-10)13-8-14-3-4-15(9-13)16-14/h5-7,13-16H,3-4,8-9H2,1-2H3/t13?,14-,15+.
What are the key properties of (1S,5R)-3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octane?
(1S,5R)-3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 215.34 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 124522672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).