(1-cyclopentylpiperidin-3-yl)-[6-(hydroxymethyl)naphthalen-2-yl]methanone

C22H27NO2 — CID 121473914

IUPAC(1-cyclopentylpiperidin-3-yl)-[6-(hydroxymethyl)naphthalen-2-yl]methanone
SMILESO=C(c1ccc2cc(CO)ccc2c1)C1CCCN(C2CCCC2)C1
InChIInChI=1S/C22H27NO2/c24-15-16-7-8-18-13-19(10-9-17(18)12-16)22(25)20-4-3-11-23(14-20)21-5-1-2-6-21/h7-10,12-13,20-21,24H,1-6,11,14-15H2
InChIKeyQINKVQGUYGSIBD-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.17
Rot. Bonds4

About (1-cyclopentylpiperidin-3-yl)-[6-(hydroxymethyl)naphthalen-2-yl]methanone

(1-cyclopentylpiperidin-3-yl)-[6-(hydroxymethyl)naphthalen-2-yl]methanone (PubChem CID 121473914) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (1-cyclopentylpiperidin-3-yl)-[6-(hydroxymethyl)naphthalen-2-yl]methanone.

Molecular Properties

Compound Name(1-cyclopentylpiperidin-3-yl)-[6-(hydroxymethyl)naphthalen-2-yl]methanone
PubChem CID121473914
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(1-cyclopentylpiperidin-3-yl)-[6-(hydroxymethyl)naphthalen-2-yl]methanone
SMILESO=C(c1ccc2cc(CO)ccc2c1)C1CCCN(C2CCCC2)C1
InChIInChI=1S/C22H27NO2/c24-15-16-7-8-18-13-19(10-9-17(18)12-16)22(25)20-4-3-11-23(14-20)21-5-1-2-6-21/h7-10,12-13,20-21,24H,1-6,11,14-15H2
InChIKeyQINKVQGUYGSIBD-UHFFFAOYSA-N
XLogP4.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopentylpiperidin-3-yl)-[6-(hydroxymethyl)naphthalen-2-yl]methanone?
The IUPAC name of (1-cyclopentylpiperidin-3-yl)-[6-(hydroxymethyl)naphthalen-2-yl]methanone (CID 121473914) is (1-cyclopentylpiperidin-3-yl)-[6-(hydroxymethyl)naphthalen-2-yl]methanone.
What is the SMILES notation for (1-cyclopentylpiperidin-3-yl)-[6-(hydroxymethyl)naphthalen-2-yl]methanone?
The canonical SMILES for (1-cyclopentylpiperidin-3-yl)-[6-(hydroxymethyl)naphthalen-2-yl]methanone is O=C(c1ccc2cc(CO)ccc2c1)C1CCCN(C2CCCC2)C1.
What is the InChIKey of (1-cyclopentylpiperidin-3-yl)-[6-(hydroxymethyl)naphthalen-2-yl]methanone?
The InChIKey is QINKVQGUYGSIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c24-15-16-7-8-18-13-19(10-9-17(18)12-16)22(25)20-4-3-11-23(14-20)21-5-1-2-6-21/h7-10,12-13,20-21,24H,1-6,11,14-15H2.
What are the key properties of (1-cyclopentylpiperidin-3-yl)-[6-(hydroxymethyl)naphthalen-2-yl]methanone?
(1-cyclopentylpiperidin-3-yl)-[6-(hydroxymethyl)naphthalen-2-yl]methanone has a molecular weight of 337.46 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentylpiperidin-3-yl)-[6-(hydroxymethyl)naphthalen-2-yl]methanone is sourced from PubChem (CID 121473914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).