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

C22H35NO — CID 10359237

IUPAC3-[(3R,4R)-1-(3-cyclohexylpropyl)-3,4-dimethylpiperidin-4-yl]phenol
SMILESC[C@H]1CN(CCCC2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C22H35NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h6,11-12,16,18-19,24H,3-5,7-10,13-15,17H2,1-2H3/t18-,22+/m0/s1
InChIKeyDRIFNPBKGHUWAN-PGRDOPGGSA-N
MW329.53 g/mol
LogP5.35
Rot. Bonds5

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

3-[(3R,4R)-1-(3-cyclohexylpropyl)-3,4-dimethylpiperidin-4-yl]phenol (PubChem CID 10359237) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is 3-[(3R,4R)-1-(3-cyclohexylpropyl)-3,4-dimethylpiperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[(3R,4R)-1-(3-cyclohexylpropyl)-3,4-dimethylpiperidin-4-yl]phenol
PubChem CID10359237
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC Name3-[(3R,4R)-1-(3-cyclohexylpropyl)-3,4-dimethylpiperidin-4-yl]phenol
SMILESC[C@H]1CN(CCCC2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C22H35NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h6,11-12,16,18-19,24H,3-5,7-10,13-15,17H2,1-2H3/t18-,22+/m0/s1
InChIKeyDRIFNPBKGHUWAN-PGRDOPGGSA-N
XLogP5.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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(-)-3-Ppp
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CID 9906198

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-1-(3-cyclohexylpropyl)-3,4-dimethylpiperidin-4-yl]phenol?
The IUPAC name of 3-[(3R,4R)-1-(3-cyclohexylpropyl)-3,4-dimethylpiperidin-4-yl]phenol (CID 10359237) is 3-[(3R,4R)-1-(3-cyclohexylpropyl)-3,4-dimethylpiperidin-4-yl]phenol.
What is the SMILES notation for 3-[(3R,4R)-1-(3-cyclohexylpropyl)-3,4-dimethylpiperidin-4-yl]phenol?
The canonical SMILES for 3-[(3R,4R)-1-(3-cyclohexylpropyl)-3,4-dimethylpiperidin-4-yl]phenol is C[C@H]1CN(CCCC2CCCCC2)CC[C@@]1(C)c1cccc(O)c1.
What is the InChIKey of 3-[(3R,4R)-1-(3-cyclohexylpropyl)-3,4-dimethylpiperidin-4-yl]phenol?
The InChIKey is DRIFNPBKGHUWAN-PGRDOPGGSA-N. The full InChI is InChI=1S/C22H35NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h6,11-12,16,18-19,24H,3-5,7-10,13-15,17H2,1-2H3/t18-,22+/m0/s1.
What are the key properties of 3-[(3R,4R)-1-(3-cyclohexylpropyl)-3,4-dimethylpiperidin-4-yl]phenol?
3-[(3R,4R)-1-(3-cyclohexylpropyl)-3,4-dimethylpiperidin-4-yl]phenol has a molecular weight of 329.53 g/mol, XLogP of 5.35, 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-cyclohexylpropyl)-3,4-dimethylpiperidin-4-yl]phenol is sourced from PubChem (CID 10359237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).