(2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

C16H22N2O3 — CID 107690258

IUPAC(2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1c(O)cccc1O)N1CCCCC1C1CCCN1
InChIInChI=1S/C16H22N2O3/c19-13-7-3-8-14(20)15(13)16(21)18-10-2-1-6-12(18)11-5-4-9-17-11/h3,7-8,11-12,17,19-20H,1-2,4-6,9-10H2
InChIKeyLYTOGTYAMGFGJM-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.84
Rot. Bonds2

About (2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

(2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 107690258) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID107690258
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1c(O)cccc1O)N1CCCCC1C1CCCN1
InChIInChI=1S/C16H22N2O3/c19-13-7-3-8-14(20)15(13)16(21)18-10-2-1-6-12(18)11-5-4-9-17-11/h3,7-8,11-12,17,19-20H,1-2,4-6,9-10H2
InChIKeyLYTOGTYAMGFGJM-UHFFFAOYSA-N
XLogP1.84
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dichlorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274244
(2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274583
(2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256799
(2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256547
(5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256807
(2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 107688521
(3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256589
(2-methylsulfanylphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 79213916
(3-chloro-2-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 81265009
(1-propan-2-ylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256233
cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256843
(4-bromo-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274407

Frequently Asked Questions

What is the IUPAC name of (2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 107690258) is (2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(c1c(O)cccc1O)N1CCCCC1C1CCCN1.
What is the InChIKey of (2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is LYTOGTYAMGFGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-13-7-3-8-14(20)15(13)16(21)18-10-2-1-6-12(18)11-5-4-9-17-11/h3,7-8,11-12,17,19-20H,1-2,4-6,9-10H2.
What are the key properties of (2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 290.36 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 107690258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).