6-(dimethylamino)-4,4-diphenylheptan-3-ol

C21H29NO — CID 28397

IUPAC6-(dimethylamino)-4,4-diphenylheptan-3-ol
SMILESCCC(O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3
InChIKeyQIRAYNIFEOXSPW-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.08
Rot. Bonds7

About 6-(dimethylamino)-4,4-diphenylheptan-3-ol

6-(dimethylamino)-4,4-diphenylheptan-3-ol (PubChem CID 28397) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 6-(dimethylamino)-4,4-diphenylheptan-3-ol.

Molecular Properties

Compound Name6-(dimethylamino)-4,4-diphenylheptan-3-ol
PubChem CID28397
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name6-(dimethylamino)-4,4-diphenylheptan-3-ol
SMILESCCC(O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3
InChIKeyQIRAYNIFEOXSPW-UHFFFAOYSA-N
XLogP4.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Betacetylmethadol
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Betamethadol
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Lobelanidine
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Cinnamedrine
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Piperidinium, 1-(3-hydroxy-5-methyl-4-phenylhexyl)-1-methyl-, bromide (1:1)
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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-4,4-diphenylheptan-3-ol?
The IUPAC name of 6-(dimethylamino)-4,4-diphenylheptan-3-ol (CID 28397) is 6-(dimethylamino)-4,4-diphenylheptan-3-ol.
What is the SMILES notation for 6-(dimethylamino)-4,4-diphenylheptan-3-ol?
The canonical SMILES for 6-(dimethylamino)-4,4-diphenylheptan-3-ol is CCC(O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-(dimethylamino)-4,4-diphenylheptan-3-ol?
The InChIKey is QIRAYNIFEOXSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3.
What are the key properties of 6-(dimethylamino)-4,4-diphenylheptan-3-ol?
6-(dimethylamino)-4,4-diphenylheptan-3-ol has a molecular weight of 311.47 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-4,4-diphenylheptan-3-ol is sourced from PubChem (CID 28397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).