(1,2-dibenzylazocan-2-yl)methanol

C22H29NO — CID 102289051

IUPAC(1,2-dibenzylazocan-2-yl)methanol
SMILESOCC1(Cc2ccccc2)CCCCCCN1Cc1ccccc1
InChIInChI=1S/C22H29NO/c24-19-22(17-20-11-5-3-6-12-20)15-9-1-2-10-16-23(22)18-21-13-7-4-8-14-21/h3-8,11-14,24H,1-2,9-10,15-19H2
InChIKeySHUBZFMDNAAOAS-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.43
Rot. Bonds5

About (1,2-dibenzylazocan-2-yl)methanol

(1,2-dibenzylazocan-2-yl)methanol (PubChem CID 102289051) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is (1,2-dibenzylazocan-2-yl)methanol.

Molecular Properties

Compound Name(1,2-dibenzylazocan-2-yl)methanol
PubChem CID102289051
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name(1,2-dibenzylazocan-2-yl)methanol
SMILESOCC1(Cc2ccccc2)CCCCCCN1Cc1ccccc1
InChIInChI=1S/C22H29NO/c24-19-22(17-20-11-5-3-6-12-20)15-9-1-2-10-16-23(22)18-21-13-7-4-8-14-21/h3-8,11-14,24H,1-2,9-10,15-19H2
InChIKeySHUBZFMDNAAOAS-UHFFFAOYSA-N
XLogP4.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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7-benzyl-2,7-diazaspiro[5.6]dodecane
CID 82623667
1-benzyl-1,9-diazaspiro[5.5]undecane
CID 25212931
1-benzyl-2-phenylpiperidin-2-amine;dihydrochloride
CID 174330652
1-benzyl-2-methylpiperidine-2-carboxylate
CID 71434868
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
1-benzyl-2,2-bis(2-phenylethynyl)pyrrolidine
CID 164666404
(6R)-1-benzyl-1-azaspiro[5.5]undecan-11-one
CID 14866444
1,2-dibenzyl-2-ethenylpyrrolidine
CID 4304758
(1-benzyl-2-methylazetidin-2-yl)methanol
CID 53343747

Frequently Asked Questions

What is the IUPAC name of (1,2-dibenzylazocan-2-yl)methanol?
The IUPAC name of (1,2-dibenzylazocan-2-yl)methanol (CID 102289051) is (1,2-dibenzylazocan-2-yl)methanol.
What is the SMILES notation for (1,2-dibenzylazocan-2-yl)methanol?
The canonical SMILES for (1,2-dibenzylazocan-2-yl)methanol is OCC1(Cc2ccccc2)CCCCCCN1Cc1ccccc1.
What is the InChIKey of (1,2-dibenzylazocan-2-yl)methanol?
The InChIKey is SHUBZFMDNAAOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c24-19-22(17-20-11-5-3-6-12-20)15-9-1-2-10-16-23(22)18-21-13-7-4-8-14-21/h3-8,11-14,24H,1-2,9-10,15-19H2.
What are the key properties of (1,2-dibenzylazocan-2-yl)methanol?
(1,2-dibenzylazocan-2-yl)methanol has a molecular weight of 323.48 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dibenzylazocan-2-yl)methanol is sourced from PubChem (CID 102289051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).