1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol

C19H29NO — CID 4919

💊View drug profile → procyclidine
IUPAC1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESOC(CCN1CCCC1)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2
InChIKeyWYDUSKDSKCASEF-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.94
Rot. Bonds5

About 1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol

1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 4919) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID4919
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESOC(CCN1CCCC1)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2
InChIKeyWYDUSKDSKCASEF-UHFFFAOYSA-N
XLogP3.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Biperiden
CID 2381
Trihexyphenidyl
CID 5572
Pridinol
CID 4904
Diphenidol
CID 3055
Trihexyphenidyl Hydrochloride
CID 66007
Azacyclonol
CID 15723
Diphenidol Hydrochloride
CID 66266
Biperiden Hydrochloride
CID 92151
Procyclidine hydrochloride
CID 207841
Cycrimine
CID 2911
Hexocyclium
CID 24199
Tridihexethyl
CID 20299

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol (CID 4919) is 1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol is OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is WYDUSKDSKCASEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2.
What are the key properties of 1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol?
1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 287.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 4919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).