(1S,4R,6S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-6-ol

C14H19NO — CID 10680303

IUPAC(1S,4R,6S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-6-ol
SMILESC[C@H](c1ccccc1)N1C[C@H]2C[C@H](O)[C@@H]1C2
InChIInChI=1S/C14H19NO/c1-10(12-5-3-2-4-6-12)15-9-11-7-13(15)14(16)8-11/h2-6,10-11,13-14,16H,7-9H2,1H3/t10-,11-,13+,14+/m1/s1
InChIKeyZQUNYTSMUVIALC-RFHZTLPTSA-N
MW217.31 g/mol
LogP2.20
Rot. Bonds2

About (1S,4R,6S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-6-ol

(1S,4R,6S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-6-ol (PubChem CID 10680303) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (1S,4R,6S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-6-ol.

Molecular Properties

Compound Name(1S,4R,6S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-6-ol
PubChem CID10680303
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(1S,4R,6S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-6-ol
SMILESC[C@H](c1ccccc1)N1C[C@H]2C[C@H](O)[C@@H]1C2
InChIInChI=1S/C14H19NO/c1-10(12-5-3-2-4-6-12)15-9-11-7-13(15)14(16)8-11/h2-6,10-11,13-14,16H,7-9H2,1H3/t10-,11-,13+,14+/m1/s1
InChIKeyZQUNYTSMUVIALC-RFHZTLPTSA-N
XLogP2.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,6S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-6-ol?
The IUPAC name of (1S,4R,6S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-6-ol (CID 10680303) is (1S,4R,6S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-6-ol.
What is the SMILES notation for (1S,4R,6S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-6-ol?
The canonical SMILES for (1S,4R,6S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-6-ol is C[C@H](c1ccccc1)N1C[C@H]2C[C@H](O)[C@@H]1C2.
What is the InChIKey of (1S,4R,6S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-6-ol?
The InChIKey is ZQUNYTSMUVIALC-RFHZTLPTSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(12-5-3-2-4-6-12)15-9-11-7-13(15)14(16)8-11/h2-6,10-11,13-14,16H,7-9H2,1H3/t10-,11-,13+,14+/m1/s1.
What are the key properties of (1S,4R,6S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-6-ol?
(1S,4R,6S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-6-ol has a molecular weight of 217.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,6S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-6-ol is sourced from PubChem (CID 10680303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).