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

C17H23NO — CID 98113064

IUPAC(1R,5R)-8-(cyclopropylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2ccccc2)C[C@H]2CC[C@H](C1)N2CC1CC1
InChIInChI=1S/C17H23NO/c19-17(14-4-2-1-3-5-14)10-15-8-9-16(11-17)18(15)12-13-6-7-13/h1-5,13,15-16,19H,6-12H2/t15-,16-/m1/s1
InChIKeyXJXHGPXXWVRWKM-HZPDHXFCSA-N
MW257.38 g/mol
LogP2.91
Rot. Bonds3

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

(1R,5R)-8-(cyclopropylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 98113064) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (1R,5R)-8-(cyclopropylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5R)-8-(cyclopropylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID98113064
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(1R,5R)-8-(cyclopropylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2ccccc2)C[C@H]2CC[C@H](C1)N2CC1CC1
InChIInChI=1S/C17H23NO/c19-17(14-4-2-1-3-5-14)10-15-8-9-16(11-17)18(15)12-13-6-7-13/h1-5,13,15-16,19H,6-12H2/t15-,16-/m1/s1
InChIKeyXJXHGPXXWVRWKM-HZPDHXFCSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
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
(1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 98053826
[4-[2-[(1R,5S)-3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclohexyl]urea
CID 140540677
8-[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 167929170
1-(cyclopropylmethyl)-4-phenylpiperidin-4-ol
CID 3064338
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
3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 23607529
(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234
(1R,5S)-8-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 11292954
8-benzyl-3-(4-hexylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957205
3-amino-1-phenylcyclohexan-1-ol
CID 80562038
8-benzyl-3-[3-(difluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171954689

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-8-(cyclopropylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5R)-8-(cyclopropylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol (CID 98113064) is (1R,5R)-8-(cyclopropylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5R)-8-(cyclopropylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5R)-8-(cyclopropylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol is OC1(c2ccccc2)C[C@H]2CC[C@H](C1)N2CC1CC1.
What is the InChIKey of (1R,5R)-8-(cyclopropylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is XJXHGPXXWVRWKM-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H23NO/c19-17(14-4-2-1-3-5-14)10-15-8-9-16(11-17)18(15)12-13-6-7-13/h1-5,13,15-16,19H,6-12H2/t15-,16-/m1/s1.
What are the key properties of (1R,5R)-8-(cyclopropylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol?
(1R,5R)-8-(cyclopropylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 257.38 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,5R)-8-(cyclopropylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 98113064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).