(2,5-dimethoxyphenyl)-piperidin-2-ylmethanol;hydrochloride

C14H22ClNO3 — CID 23723170

IUPAC(2,5-dimethoxyphenyl)-piperidin-2-ylmethanol;hydrochloride
SMILESCOc1ccc(OC)c(C(O)C2CCCCN2)c1.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-17-10-6-7-13(18-2)11(9-10)14(16)12-5-3-4-8-15-12;/h6-7,9,12,14-16H,3-5,8H2,1-2H3;1H
InChIKeyXPZVRGRMADTOOY-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.30
Rot. Bonds4

About (2,5-dimethoxyphenyl)-piperidin-2-ylmethanol;hydrochloride

(2,5-dimethoxyphenyl)-piperidin-2-ylmethanol;hydrochloride (PubChem CID 23723170) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-piperidin-2-ylmethanol;hydrochloride.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-piperidin-2-ylmethanol;hydrochloride
PubChem CID23723170
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name(2,5-dimethoxyphenyl)-piperidin-2-ylmethanol;hydrochloride
SMILESCOc1ccc(OC)c(C(O)C2CCCCN2)c1.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-17-10-6-7-13(18-2)11(9-10)14(16)12-5-3-4-8-15-12;/h6-7,9,12,14-16H,3-5,8H2,1-2H3;1H
InChIKeyXPZVRGRMADTOOY-UHFFFAOYSA-N
XLogP2.30
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-piperidin-2-ylmethanol;hydrochloride?
The IUPAC name of (2,5-dimethoxyphenyl)-piperidin-2-ylmethanol;hydrochloride (CID 23723170) is (2,5-dimethoxyphenyl)-piperidin-2-ylmethanol;hydrochloride.
What is the SMILES notation for (2,5-dimethoxyphenyl)-piperidin-2-ylmethanol;hydrochloride?
The canonical SMILES for (2,5-dimethoxyphenyl)-piperidin-2-ylmethanol;hydrochloride is COc1ccc(OC)c(C(O)C2CCCCN2)c1.Cl.
What is the InChIKey of (2,5-dimethoxyphenyl)-piperidin-2-ylmethanol;hydrochloride?
The InChIKey is XPZVRGRMADTOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3.ClH/c1-17-10-6-7-13(18-2)11(9-10)14(16)12-5-3-4-8-15-12;/h6-7,9,12,14-16H,3-5,8H2,1-2H3;1H.
What are the key properties of (2,5-dimethoxyphenyl)-piperidin-2-ylmethanol;hydrochloride?
(2,5-dimethoxyphenyl)-piperidin-2-ylmethanol;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-piperidin-2-ylmethanol;hydrochloride is sourced from PubChem (CID 23723170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).