(2,4-dimethoxyphenyl)-piperidin-4-ylmethanol

C14H21NO3 — CID 79024060

IUPAC(2,4-dimethoxyphenyl)-piperidin-4-ylmethanol
SMILESCOc1ccc(C(O)C2CCNCC2)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-17-11-3-4-12(13(9-11)18-2)14(16)10-5-7-15-8-6-10/h3-4,9-10,14-16H,5-8H2,1-2H3
InChIKeyNVXWLRJFZGSLRI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.74
Rot. Bonds4

About (2,4-dimethoxyphenyl)-piperidin-4-ylmethanol

(2,4-dimethoxyphenyl)-piperidin-4-ylmethanol (PubChem CID 79024060) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-piperidin-4-ylmethanol.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-piperidin-4-ylmethanol
PubChem CID79024060
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(2,4-dimethoxyphenyl)-piperidin-4-ylmethanol
SMILESCOc1ccc(C(O)C2CCNCC2)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-17-11-3-4-12(13(9-11)18-2)14(16)10-5-7-15-8-6-10/h3-4,9-10,14-16H,5-8H2,1-2H3
InChIKeyNVXWLRJFZGSLRI-UHFFFAOYSA-N
XLogP1.74
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanol
CID 80560362
(R)-(2,4-dimethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314189
(2,4-dimethoxyphenyl)-(thiolan-3-yl)methanol
CID 105096043
1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951034
[4-(4-methoxyphenyl)phenyl]-piperidin-4-ylmethanol
CID 82341647
(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol
CID 103277687
(1S,2R)-2-amino-1-cyclobutyl-2-(2,4-dimethoxyphenyl)ethanol
CID 171161039
1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 171274762
N-[1-(2,4-dimethoxyphenyl)ethyl]azepan-4-amine
CID 103981019
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(2S)-2-[(R)-(2,4-dimethoxyphenyl)-hydroxymethyl]cyclohexan-1-one
CID 135019943

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-piperidin-4-ylmethanol?
The IUPAC name of (2,4-dimethoxyphenyl)-piperidin-4-ylmethanol (CID 79024060) is (2,4-dimethoxyphenyl)-piperidin-4-ylmethanol.
What is the SMILES notation for (2,4-dimethoxyphenyl)-piperidin-4-ylmethanol?
The canonical SMILES for (2,4-dimethoxyphenyl)-piperidin-4-ylmethanol is COc1ccc(C(O)C2CCNCC2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-piperidin-4-ylmethanol?
The InChIKey is NVXWLRJFZGSLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-11-3-4-12(13(9-11)18-2)14(16)10-5-7-15-8-6-10/h3-4,9-10,14-16H,5-8H2,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-piperidin-4-ylmethanol?
(2,4-dimethoxyphenyl)-piperidin-4-ylmethanol has a molecular weight of 251.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-piperidin-4-ylmethanol is sourced from PubChem (CID 79024060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).