[2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

C17H23NO2 — CID 43421306

IUPAC[2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCC2)N1CCCCC1CO
InChIInChI=1S/C17H23NO2/c19-12-16-7-3-4-10-18(16)17(20)15-9-8-13-5-1-2-6-14(13)11-15/h8-9,11,16,19H,1-7,10,12H2
InChIKeyNFNMUNDFNHZUKY-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.55
Rot. Bonds2

About [2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

[2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (PubChem CID 43421306) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is [2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
PubChem CID43421306
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name[2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCC2)N1CCCCC1CO
InChIInChI=1S/C17H23NO2/c19-12-16-7-3-4-10-18(16)17(20)15-9-8-13-5-1-2-6-14(13)11-15/h8-9,11,16,19H,1-7,10,12H2
InChIKeyNFNMUNDFNHZUKY-UHFFFAOYSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-5-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66262411
[2-(2-hydroxyethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60742117
[2-(2-bromoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 80666601
2-[(2R)-1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-2-yl]acetamide
CID 95293673
2,3-dihydro-1-benzofuran-5-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421056
(3,4-dihydroxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103956460
2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61371055
3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578567
(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751
3-[2-(hydroxymethyl)azepane-1-carbonyl]benzoic acid
CID 116635788
(4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 113351034
2,3-dihydro-1,4-benzodioxin-6-yl-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 93042933

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (CID 43421306) is [2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is O=C(c1ccc2c(c1)CCCC2)N1CCCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is NFNMUNDFNHZUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-12-16-7-3-4-10-18(16)17(20)15-9-8-13-5-1-2-6-14(13)11-15/h8-9,11,16,19H,1-7,10,12H2.
What are the key properties of [2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
[2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 43421306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).