3-[(3R,4R)-1-(3-cyclopentylpropyl)-3,4-dimethylpiperidin-4-yl]phenol

C21H33NO — CID 10064312

IUPAC3-[(3R,4R)-1-(3-cyclopentylpropyl)-3,4-dimethylpiperidin-4-yl]phenol
SMILESC[C@H]1CN(CCCC2CCCC2)CC[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C21H33NO/c1-17-16-22(13-6-9-18-7-3-4-8-18)14-12-21(17,2)19-10-5-11-20(23)15-19/h5,10-11,15,17-18,23H,3-4,6-9,12-14,16H2,1-2H3/t17-,21+/m0/s1
InChIKeyXSTQZUUYBMKYFS-LAUBAEHRSA-N
MW315.50 g/mol
LogP4.96
Rot. Bonds5

About 3-[(3R,4R)-1-(3-cyclopentylpropyl)-3,4-dimethylpiperidin-4-yl]phenol

3-[(3R,4R)-1-(3-cyclopentylpropyl)-3,4-dimethylpiperidin-4-yl]phenol (PubChem CID 10064312) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 3-[(3R,4R)-1-(3-cyclopentylpropyl)-3,4-dimethylpiperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[(3R,4R)-1-(3-cyclopentylpropyl)-3,4-dimethylpiperidin-4-yl]phenol
PubChem CID10064312
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name3-[(3R,4R)-1-(3-cyclopentylpropyl)-3,4-dimethylpiperidin-4-yl]phenol
SMILESC[C@H]1CN(CCCC2CCCC2)CC[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C21H33NO/c1-17-16-22(13-6-9-18-7-3-4-8-18)14-12-21(17,2)19-10-5-11-20(23)15-19/h5,10-11,15,17-18,23H,3-4,6-9,12-14,16H2,1-2H3/t17-,21+/m0/s1
InChIKeyXSTQZUUYBMKYFS-LAUBAEHRSA-N
XLogP4.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3R,4R)-1-(3-cyclopentylpropyl)-3,4-dimethylpiperidin-4-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-1-(3-cyclopentylpropyl)-3,4-dimethylpiperidin-4-yl]phenol?
The IUPAC name of 3-[(3R,4R)-1-(3-cyclopentylpropyl)-3,4-dimethylpiperidin-4-yl]phenol (CID 10064312) is 3-[(3R,4R)-1-(3-cyclopentylpropyl)-3,4-dimethylpiperidin-4-yl]phenol.
What is the SMILES notation for 3-[(3R,4R)-1-(3-cyclopentylpropyl)-3,4-dimethylpiperidin-4-yl]phenol?
The canonical SMILES for 3-[(3R,4R)-1-(3-cyclopentylpropyl)-3,4-dimethylpiperidin-4-yl]phenol is C[C@H]1CN(CCCC2CCCC2)CC[C@@]1(C)c1cccc(O)c1.
What is the InChIKey of 3-[(3R,4R)-1-(3-cyclopentylpropyl)-3,4-dimethylpiperidin-4-yl]phenol?
The InChIKey is XSTQZUUYBMKYFS-LAUBAEHRSA-N. The full InChI is InChI=1S/C21H33NO/c1-17-16-22(13-6-9-18-7-3-4-8-18)14-12-21(17,2)19-10-5-11-20(23)15-19/h5,10-11,15,17-18,23H,3-4,6-9,12-14,16H2,1-2H3/t17-,21+/m0/s1.
What are the key properties of 3-[(3R,4R)-1-(3-cyclopentylpropyl)-3,4-dimethylpiperidin-4-yl]phenol?
3-[(3R,4R)-1-(3-cyclopentylpropyl)-3,4-dimethylpiperidin-4-yl]phenol has a molecular weight of 315.50 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-1-(3-cyclopentylpropyl)-3,4-dimethylpiperidin-4-yl]phenol is sourced from PubChem (CID 10064312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).