(4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

C16H22N2O2 — CID 63259419

IUPAC(4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(O)cc1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H22N2O2/c19-14-5-3-13(4-6-14)16(20)18-10-7-12(8-11-18)15-2-1-9-17-15/h3-6,12,15,17,19H,1-2,7-11H2
InChIKeyPBDGVJKWLGTIJY-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.00
Rot. Bonds2

About (4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

(4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 63259419) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID63259419
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(O)cc1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H22N2O2/c19-14-5-3-13(4-6-14)16(20)18-10-7-12(8-11-18)15-2-1-9-17-15/h3-6,12,15,17,19H,1-2,7-11H2
InChIKeyPBDGVJKWLGTIJY-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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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 63259419) is (4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(c1ccc(O)cc1)N1CCC(C2CCCN2)CC1.
What is the InChIKey of (4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is PBDGVJKWLGTIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-14-5-3-13(4-6-14)16(20)18-10-7-12(8-11-18)15-2-1-9-17-15/h3-6,12,15,17,19H,1-2,7-11H2.
What are the key properties of (4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(4-hydroxyphenyl)-(4-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 (4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 63259419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).