2-methoxy-5-[[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]amino]methyl]phenol

C20H27N3O2 — CID 56822914

IUPAC2-methoxy-5-[[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]amino]methyl]phenol
SMILESCOc1ccc(CNC2CCN(CCc3ccncc3)CC2)cc1O
InChIInChI=1S/C20H27N3O2/c1-25-20-3-2-17(14-19(20)24)15-22-18-7-12-23(13-8-18)11-6-16-4-9-21-10-5-16/h2-5,9-10,14,18,22,24H,6-8,11-13,15H2,1H3
InChIKeyDIZFJWLPSHQJCD-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.59
Rot. Bonds7

About 2-methoxy-5-[[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]amino]methyl]phenol

2-methoxy-5-[[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]amino]methyl]phenol (PubChem CID 56822914) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-methoxy-5-[[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]amino]methyl]phenol
PubChem CID56822914
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-methoxy-5-[[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]amino]methyl]phenol
SMILESCOc1ccc(CNC2CCN(CCc3ccncc3)CC2)cc1O
InChIInChI=1S/C20H27N3O2/c1-25-20-3-2-17(14-19(20)24)15-22-18-7-12-23(13-8-18)11-6-16-4-9-21-10-5-16/h2-5,9-10,14,18,22,24H,6-8,11-13,15H2,1H3
InChIKeyDIZFJWLPSHQJCD-UHFFFAOYSA-N
XLogP2.59
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]amino]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]amino]methyl]phenol (CID 56822914) is 2-methoxy-5-[[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]amino]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]amino]methyl]phenol is COc1ccc(CNC2CCN(CCc3ccncc3)CC2)cc1O.
What is the InChIKey of 2-methoxy-5-[[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]amino]methyl]phenol?
The InChIKey is DIZFJWLPSHQJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-25-20-3-2-17(14-19(20)24)15-22-18-7-12-23(13-8-18)11-6-16-4-9-21-10-5-16/h2-5,9-10,14,18,22,24H,6-8,11-13,15H2,1H3.
What are the key properties of 2-methoxy-5-[[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]amino]methyl]phenol?
2-methoxy-5-[[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]amino]methyl]phenol has a molecular weight of 341.46 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]amino]methyl]phenol is sourced from PubChem (CID 56822914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).