3-(1-methyl-3-propylpiperidin-2-yl)phenol;hydrochloride

C15H24ClNO — CID 71301393

IUPAC3-(1-methyl-3-propylpiperidin-2-yl)phenol;hydrochloride
SMILESCCCC1CCCN(C)C1c1cccc(O)c1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-3-6-12-8-5-10-16(2)15(12)13-7-4-9-14(17)11-13;/h4,7,9,11-12,15,17H,3,5-6,8,10H2,1-2H3;1H
InChIKeyMCOGVXTVWUTWPR-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.00
Rot. Bonds3

About 3-(1-methyl-3-propylpiperidin-2-yl)phenol;hydrochloride

3-(1-methyl-3-propylpiperidin-2-yl)phenol;hydrochloride (PubChem CID 71301393) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 3-(1-methyl-3-propylpiperidin-2-yl)phenol;hydrochloride.

Molecular Properties

Compound Name3-(1-methyl-3-propylpiperidin-2-yl)phenol;hydrochloride
PubChem CID71301393
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name3-(1-methyl-3-propylpiperidin-2-yl)phenol;hydrochloride
SMILESCCCC1CCCN(C)C1c1cccc(O)c1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-3-6-12-8-5-10-16(2)15(12)13-7-4-9-14(17)11-13;/h4,7,9,11-12,15,17H,3,5-6,8,10H2,1-2H3;1H
InChIKeyMCOGVXTVWUTWPR-UHFFFAOYSA-N
XLogP4.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3-propylpiperidin-2-yl)phenol;hydrochloride?
The IUPAC name of 3-(1-methyl-3-propylpiperidin-2-yl)phenol;hydrochloride (CID 71301393) is 3-(1-methyl-3-propylpiperidin-2-yl)phenol;hydrochloride.
What is the SMILES notation for 3-(1-methyl-3-propylpiperidin-2-yl)phenol;hydrochloride?
The canonical SMILES for 3-(1-methyl-3-propylpiperidin-2-yl)phenol;hydrochloride is CCCC1CCCN(C)C1c1cccc(O)c1.Cl.
What is the InChIKey of 3-(1-methyl-3-propylpiperidin-2-yl)phenol;hydrochloride?
The InChIKey is MCOGVXTVWUTWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-3-6-12-8-5-10-16(2)15(12)13-7-4-9-14(17)11-13;/h4,7,9,11-12,15,17H,3,5-6,8,10H2,1-2H3;1H.
What are the key properties of 3-(1-methyl-3-propylpiperidin-2-yl)phenol;hydrochloride?
3-(1-methyl-3-propylpiperidin-2-yl)phenol;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3-propylpiperidin-2-yl)phenol;hydrochloride is sourced from PubChem (CID 71301393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).