1-(3-phenylpropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

C16H23NO — CID 82855864

IUPAC1-(3-phenylpropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC1(CCCc2ccccc2)CCN2CCCC21
InChIInChI=1S/C16H23NO/c18-16(11-13-17-12-5-9-15(16)17)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,15,18H,4-5,8-13H2
InChIKeyNBAGKRXHOGEFKI-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.61
Rot. Bonds4

About 1-(3-phenylpropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

1-(3-phenylpropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (PubChem CID 82855864) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.

Molecular Properties

Compound Name1-(3-phenylpropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
PubChem CID82855864
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(3-phenylpropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC1(CCCc2ccccc2)CCN2CCCC21
InChIInChI=1S/C16H23NO/c18-16(11-13-17-12-5-9-15(16)17)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,15,18H,4-5,8-13H2
InChIKeyNBAGKRXHOGEFKI-UHFFFAOYSA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 163074803
1-[(3-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82857000
1-(2-cyclopropylethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 106590583
1-[(2,6-dimethylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856895
[1-(benzylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol
CID 82855751
2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol
CID 106873775
1-methyl-4-(3-phenylpropyl)piperidin-4-ol
CID 65146368
1-cyclopropyl-3-(2-phenylethyl)pyrrolidin-3-ol
CID 55142174
4,4-dimethyl-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10490686
4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151412
1-(2-chlorophenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82857001
1-[(3,5-difluorophenyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 105402722

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The IUPAC name of 1-(3-phenylpropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (CID 82855864) is 1-(3-phenylpropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.
What is the SMILES notation for 1-(3-phenylpropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The canonical SMILES for 1-(3-phenylpropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is OC1(CCCc2ccccc2)CCN2CCCC21.
What is the InChIKey of 1-(3-phenylpropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The InChIKey is NBAGKRXHOGEFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c18-16(11-13-17-12-5-9-15(16)17)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,15,18H,4-5,8-13H2.
What are the key properties of 1-(3-phenylpropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
1-(3-phenylpropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol has a molecular weight of 245.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is sourced from PubChem (CID 82855864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).