3-(1,4-dimethyl-3-propylpiperidin-2-yl)phenol;hydrochloride

C16H26ClNO — CID 71301272

IUPAC3-(1,4-dimethyl-3-propylpiperidin-2-yl)phenol;hydrochloride
SMILESCCCC1C(C)CCN(C)C1c1cccc(O)c1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-4-6-15-12(2)9-10-17(3)16(15)13-7-5-8-14(18)11-13;/h5,7-8,11-12,15-16,18H,4,6,9-10H2,1-3H3;1H
InChIKeyKMGYAQROKLXZMN-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.24
Rot. Bonds3

About 3-(1,4-dimethyl-3-propylpiperidin-2-yl)phenol;hydrochloride

3-(1,4-dimethyl-3-propylpiperidin-2-yl)phenol;hydrochloride (PubChem CID 71301272) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 3-(1,4-dimethyl-3-propylpiperidin-2-yl)phenol;hydrochloride.

Molecular Properties

Compound Name3-(1,4-dimethyl-3-propylpiperidin-2-yl)phenol;hydrochloride
PubChem CID71301272
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name3-(1,4-dimethyl-3-propylpiperidin-2-yl)phenol;hydrochloride
SMILESCCCC1C(C)CCN(C)C1c1cccc(O)c1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-4-6-15-12(2)9-10-17(3)16(15)13-7-5-8-14(18)11-13;/h5,7-8,11-12,15-16,18H,4,6,9-10H2,1-3H3;1H
InChIKeyKMGYAQROKLXZMN-UHFFFAOYSA-N
XLogP4.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1,4-dimethyl-3-propylpiperidin-2-yl)phenol;hydrochloride 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-(1,4-dimethyl-3-propylpiperidin-2-yl)phenol;hydrochloride?
The IUPAC name of 3-(1,4-dimethyl-3-propylpiperidin-2-yl)phenol;hydrochloride (CID 71301272) is 3-(1,4-dimethyl-3-propylpiperidin-2-yl)phenol;hydrochloride.
What is the SMILES notation for 3-(1,4-dimethyl-3-propylpiperidin-2-yl)phenol;hydrochloride?
The canonical SMILES for 3-(1,4-dimethyl-3-propylpiperidin-2-yl)phenol;hydrochloride is CCCC1C(C)CCN(C)C1c1cccc(O)c1.Cl.
What is the InChIKey of 3-(1,4-dimethyl-3-propylpiperidin-2-yl)phenol;hydrochloride?
The InChIKey is KMGYAQROKLXZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.ClH/c1-4-6-15-12(2)9-10-17(3)16(15)13-7-5-8-14(18)11-13;/h5,7-8,11-12,15-16,18H,4,6,9-10H2,1-3H3;1H.
What are the key properties of 3-(1,4-dimethyl-3-propylpiperidin-2-yl)phenol;hydrochloride?
3-(1,4-dimethyl-3-propylpiperidin-2-yl)phenol;hydrochloride has a molecular weight of 283.84 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dimethyl-3-propylpiperidin-2-yl)phenol;hydrochloride is sourced from PubChem (CID 71301272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).