(1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone

C16H18N2O2 — CID 81426440

IUPAC(1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc3ccccc3c2O)CCN1
InChIInChI=1S/C16H18N2O2/c1-11-10-18(9-8-17-11)16(20)14-7-6-12-4-2-3-5-13(12)15(14)19/h2-7,11,17,19H,8-10H2,1H3/t11-/m1/s1
InChIKeyYMUMJPDJOROHKY-LLVKDONJSA-N
MW270.33 g/mol
LogP1.98
Rot. Bonds1

About (1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone

(1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 81426440) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID81426440
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc3ccccc3c2O)CCN1
InChIInChI=1S/C16H18N2O2/c1-11-10-18(9-8-17-11)16(20)14-7-6-12-4-2-3-5-13(12)15(14)19/h2-7,11,17,19H,8-10H2,1H3/t11-/m1/s1
InChIKeyYMUMJPDJOROHKY-LLVKDONJSA-N
XLogP1.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dihydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104894013
(3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one
CID 129395818
(1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918604
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119579435
(1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43392987
(2-iodophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426406
(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82829933
(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119578686
(2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426616
2-[1-(1-hydroxynaphthalene-2-carbonyl)azetidin-3-yl]acetic acid
CID 64604771
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804

Frequently Asked Questions

What is the IUPAC name of (1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone (CID 81426440) is (1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone is C[C@@H]1CN(C(=O)c2ccc3ccccc3c2O)CCN1.
What is the InChIKey of (1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is YMUMJPDJOROHKY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-10-18(9-8-17-11)16(20)14-7-6-12-4-2-3-5-13(12)15(14)19/h2-7,11,17,19H,8-10H2,1H3/t11-/m1/s1.
What are the key properties of (1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
(1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone has a molecular weight of 270.33 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 81426440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).