(1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol

C16H23NO — CID 51893359

IUPAC(1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCN1[C@@H]2CC[C@H]1CC(O)(c1ccccc1)C2
InChIInChI=1S/C16H23NO/c1-2-10-17-14-8-9-15(17)12-16(18,11-14)13-6-4-3-5-7-13/h3-7,14-15,18H,2,8-12H2,1H3/t14-,15+,16?
InChIKeyWXRQVDPZZFTAPP-XYPWUTKMSA-N
MW245.37 g/mol
LogP2.91
Rot. Bonds3

About (1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol

(1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 51893359) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID51893359
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCN1[C@@H]2CC[C@H]1CC(O)(c1ccccc1)C2
InChIInChI=1S/C16H23NO/c1-2-10-17-14-8-9-15(17)12-16(18,11-14)13-6-4-3-5-7-13/h3-7,14-15,18H,2,8-12H2,1H3/t14-,15+,16?
InChIKeyWXRQVDPZZFTAPP-XYPWUTKMSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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,5R)-8-(cyclopropylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 98113064
(1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 98053826
5-phenyl-2-propyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol
CID 123782882
8-benzyl-3-(4-hexylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957205
[4-[2-[(1R,5S)-3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclohexyl]urea
CID 140540677
(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234
3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 23607529
3-hexyl-1-phenylcyclobutan-1-ol
CID 10585684
cis-methyl (1R,2S)-2-[[(1S,5R)-3-(4-chlorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-1-phenylcyclopropane-1-carboxylate
CID 53248109
8-(6-methylpyrazin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 154766827
9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959095
8-benzyl-3-(4-methoxy-3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961415

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol (CID 51893359) is (1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol is CCCN1[C@@H]2CC[C@H]1CC(O)(c1ccccc1)C2.
What is the InChIKey of (1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is WXRQVDPZZFTAPP-XYPWUTKMSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-10-17-14-8-9-15(17)12-16(18,11-14)13-6-4-3-5-7-13/h3-7,14-15,18H,2,8-12H2,1H3/t14-,15+,16?.
What are the key properties of (1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol?
(1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 245.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 51893359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).