1-[(2-hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-ol

C21H22N2O2 — CID 56675931

IUPAC1-[(2-hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-ol
SMILESOc1ccc2ccccc2c1C(c1ccccn1)N1CCC(O)CC1
InChIInChI=1S/C21H22N2O2/c24-16-10-13-23(14-11-16)21(18-7-3-4-12-22-18)20-17-6-2-1-5-15(17)8-9-19(20)25/h1-9,12,16,21,24-25H,10-11,13-14H2
InChIKeyOVKGEQKZRPZLFE-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.49
Rot. Bonds3

About 1-[(2-hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-ol

1-[(2-hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-ol (PubChem CID 56675931) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[(2-hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-ol
PubChem CID56675931
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name1-[(2-hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-ol
SMILESOc1ccc2ccccc2c1C(c1ccccn1)N1CCC(O)CC1
InChIInChI=1S/C21H22N2O2/c24-16-10-13-23(14-11-16)21(18-7-3-4-12-22-18)20-17-6-2-1-5-15(17)8-9-19(20)25/h1-9,12,16,21,24-25H,10-11,13-14H2
InChIKeyOVKGEQKZRPZLFE-UHFFFAOYSA-N
XLogP3.49
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-ol?
The IUPAC name of 1-[(2-hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-ol (CID 56675931) is 1-[(2-hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2-hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-ol?
The canonical SMILES for 1-[(2-hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-ol is Oc1ccc2ccccc2c1C(c1ccccn1)N1CCC(O)CC1.
What is the InChIKey of 1-[(2-hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-ol?
The InChIKey is OVKGEQKZRPZLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-16-10-13-23(14-11-16)21(18-7-3-4-12-22-18)20-17-6-2-1-5-15(17)8-9-19(20)25/h1-9,12,16,21,24-25H,10-11,13-14H2.
What are the key properties of 1-[(2-hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-ol?
1-[(2-hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-ol has a molecular weight of 334.42 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-ol is sourced from PubChem (CID 56675931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).