(2-hydroxyphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone

C16H22N2O2 — CID 60978290

IUPAC(2-hydroxyphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccccc1O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C16H22N2O2/c19-15-8-2-1-6-13(15)16(20)18-10-4-5-12(11-18)14-7-3-9-17-14/h1-2,6,8,12,14,17,19H,3-5,7,9-11H2
InChIKeyKEUAKGZAFDGNMM-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.00
Rot. Bonds2

About (2-hydroxyphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone

(2-hydroxyphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 60978290) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2-hydroxyphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID60978290
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2-hydroxyphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccccc1O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C16H22N2O2/c19-15-8-2-1-6-13(15)16(20)18-10-4-5-12(11-18)14-7-3-9-17-14/h1-2,6,8,12,14,17,19H,3-5,7,9-11H2
InChIKeyKEUAKGZAFDGNMM-UHFFFAOYSA-N
XLogP2.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60978829
(5-chloro-2-iodophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 103832102
(3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60979101
1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl-(2-iodophenyl)methanone
CID 102680344
1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl-(2-hydroxy-5-methylphenyl)methanone
CID 102680439
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl-(2,4-dihydroxyphenyl)methanone
CID 102680487
(2-iodophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999409
(5-hydroxy-3-pyridinyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63851017
[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 146042324
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119294607
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-hydroxyphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 60978290) is (2-hydroxyphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-hydroxyphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-hydroxyphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(c1ccccc1O)N1CCCC(C2CCCN2)C1.
What is the InChIKey of (2-hydroxyphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is KEUAKGZAFDGNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15-8-2-1-6-13(15)16(20)18-10-4-5-12(11-18)14-7-3-9-17-14/h1-2,6,8,12,14,17,19H,3-5,7,9-11H2.
What are the key properties of (2-hydroxyphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(2-hydroxyphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 60978290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).