(1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol

C16H23NO — CID 98053826

IUPAC(1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)N1[C@H]2CC[C@H]1CC(O)(c1ccccc1)C2
InChIInChI=1S/C16H23NO/c1-12(2)17-14-8-9-15(17)11-16(18,10-14)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3/t14-,15-/m0/s1
InChIKeyBDTLYLOQSHJPNQ-GJZGRUSLSA-N
MW245.37 g/mol
LogP2.91
Rot. Bonds2

About (1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol

(1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 98053826) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID98053826
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)N1[C@H]2CC[C@H]1CC(O)(c1ccccc1)C2
InChIInChI=1S/C16H23NO/c1-12(2)17-14-8-9-15(17)11-16(18,10-14)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3/t14-,15-/m0/s1
InChIKeyBDTLYLOQSHJPNQ-GJZGRUSLSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
CID 51893359
8-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 126836417
(1R,5R)-8-(cyclopropylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 98113064
3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 23607529
8-methyl-3-(4-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954809
3-phenyl-1-propan-2-ylazetidin-3-ol
CID 58547253
8-(6-methylpyrazin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 154766827
8-methyl-3-(4-pyridin-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957326
(1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 54305859
(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234
[4-[2-[(1R,5S)-3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclohexyl]urea
CID 140540677
3-[4-(1,3-dioxolan-2-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171963062

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol (CID 98053826) is (1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol is CC(C)N1[C@H]2CC[C@H]1CC(O)(c1ccccc1)C2.
What is the InChIKey of (1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is BDTLYLOQSHJPNQ-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(2)17-14-8-9-15(17)11-16(18,10-14)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
(1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 245.37 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 98053826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).