1,1-diphenyl-4-piperidin-1-ylbutan-1-ol

C21H27NO — CID 3055

IUPAC1,1-diphenyl-4-piperidin-1-ylbutan-1-ol
SMILESOC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2
InChIKeyOGAKLTJNUQRZJU-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.19
Rot. Bonds6

About 1,1-diphenyl-4-piperidin-1-ylbutan-1-ol

1,1-diphenyl-4-piperidin-1-ylbutan-1-ol (PubChem CID 3055) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 1,1-diphenyl-4-piperidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name1,1-diphenyl-4-piperidin-1-ylbutan-1-ol
PubChem CID3055
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name1,1-diphenyl-4-piperidin-1-ylbutan-1-ol
SMILESOC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2
InChIKeyOGAKLTJNUQRZJU-UHFFFAOYSA-N
XLogP4.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Biperiden
CID 2381
Trihexyphenidyl
CID 5572
Procyclidine
CID 4919
Pridinol
CID 4904
Trihexyphenidyl Hydrochloride
CID 66007
Azacyclonol
CID 15723
Diphenidol Hydrochloride
CID 66266
Biperiden Hydrochloride
CID 92151
Pipradrol
CID 10083
Procyclidine hydrochloride
CID 207841
Glemanserin
CID 71781
Cycrimine
CID 2911

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-4-piperidin-1-ylbutan-1-ol?
The IUPAC name of 1,1-diphenyl-4-piperidin-1-ylbutan-1-ol (CID 3055) is 1,1-diphenyl-4-piperidin-1-ylbutan-1-ol.
What is the SMILES notation for 1,1-diphenyl-4-piperidin-1-ylbutan-1-ol?
The canonical SMILES for 1,1-diphenyl-4-piperidin-1-ylbutan-1-ol is OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-4-piperidin-1-ylbutan-1-ol?
The InChIKey is OGAKLTJNUQRZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2.
What are the key properties of 1,1-diphenyl-4-piperidin-1-ylbutan-1-ol?
1,1-diphenyl-4-piperidin-1-ylbutan-1-ol has a molecular weight of 309.45 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-4-piperidin-1-ylbutan-1-ol is sourced from PubChem (CID 3055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).