2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-ol

C17H26N2O — CID 79174920

IUPAC2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-ol
SMILESCC(C(O)c1ccccc1)N1CCC2CCC(C1)N2C
InChIInChI=1S/C17H26N2O/c1-13(17(20)14-6-4-3-5-7-14)19-11-10-15-8-9-16(12-19)18(15)2/h3-7,13,15-17,20H,8-12H2,1-2H3
InChIKeyVZJTZTNHSAYXSD-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.28
Rot. Bonds3

About 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-ol

2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-ol (PubChem CID 79174920) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-ol
PubChem CID79174920
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-ol
SMILESCC(C(O)c1ccccc1)N1CCC2CCC(C1)N2C
InChIInChI=1S/C17H26N2O/c1-13(17(20)14-6-4-3-5-7-14)19-11-10-15-8-9-16(12-19)18(15)2/h3-7,13,15-17,20H,8-12H2,1-2H3
InChIKeyVZJTZTNHSAYXSD-UHFFFAOYSA-N
XLogP2.28
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol
CID 64599486
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one
CID 79174234
(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 11830572
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
CID 15072780
N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]aniline
CID 79170317
1-phenyl-2-piperazin-1-ylpropan-1-ol
CID 82264476
(3aR,6aS)-2-(1-hydroxy-1-phenylpropan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 144818667
(1S,2R)-2-[(5R,6S)-2,2,3,3,5,6-hexadeuterio-4-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]piperazin-1-yl]-1-phenylpropan-1-ol
CID 101102848
2-(3-fluorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79174272
1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine
CID 79165611
4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
CID 138753340
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine
CID 79175124

Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-ol?
The IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-ol (CID 79174920) is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-ol.
What is the SMILES notation for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-ol?
The canonical SMILES for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-ol is CC(C(O)c1ccccc1)N1CCC2CCC(C1)N2C.
What is the InChIKey of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-ol?
The InChIKey is VZJTZTNHSAYXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(17(20)14-6-4-3-5-7-14)19-11-10-15-8-9-16(12-19)18(15)2/h3-7,13,15-17,20H,8-12H2,1-2H3.
What are the key properties of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-ol?
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-ol has a molecular weight of 274.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-ol is sourced from PubChem (CID 79174920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).