(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone

C16H17NO2 — CID 11572416

IUPAC(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone
SMILESO=C(c1c(O)ccc2ccccc12)N1CCCCC1
InChIInChI=1S/C16H17NO2/c18-14-9-8-12-6-2-3-7-13(12)15(14)16(19)17-10-4-1-5-11-17/h2-3,6-9,18H,1,4-5,10-11H2
InChIKeyQBHBLFWHPOSPKI-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.17
Rot. Bonds1

About (2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone

(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone (PubChem CID 11572416) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone
PubChem CID11572416
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone
SMILESO=C(c1c(O)ccc2ccccc12)N1CCCCC1
InChIInChI=1S/C16H17NO2/c18-14-9-8-12-6-2-3-7-13(12)15(14)16(19)17-10-4-1-5-11-17/h2-3,6-9,18H,1,4-5,10-11H2
InChIKeyQBHBLFWHPOSPKI-UHFFFAOYSA-N
XLogP3.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3-propan-2-ylurea
CID 166315592
bis(2-hydroxynaphthalen-1-yl)methanone
CID 68928260
(4-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone
CID 82372380
(1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone
CID 59534009
1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one
CID 70711142
2-acetyl-8-(2-hydroxynaphthalene-1-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70750133
[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 95728859
9-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one
CID 59373617
(8-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone
CID 660137
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
[1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 35870224
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108

Frequently Asked Questions

What is the IUPAC name of (2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone (CID 11572416) is (2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone is O=C(c1c(O)ccc2ccccc12)N1CCCCC1.
What is the InChIKey of (2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone?
The InChIKey is QBHBLFWHPOSPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-14-9-8-12-6-2-3-7-13(12)15(14)16(19)17-10-4-1-5-11-17/h2-3,6-9,18H,1,4-5,10-11H2.
What are the key properties of (2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone?
(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone has a molecular weight of 255.32 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 11572416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).