(5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

C16H21ClN2O2 — CID 63256807

IUPAC(5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1O)N1CCCCC1C1CCCN1
InChIInChI=1S/C16H21ClN2O2/c17-11-6-7-15(20)12(10-11)16(21)19-9-2-1-5-14(19)13-4-3-8-18-13/h6-7,10,13-14,18,20H,1-5,8-9H2
InChIKeySYIARRMYEMEWOW-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.79
Rot. Bonds2

About (5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone

(5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 63256807) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is (5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID63256807
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name(5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1O)N1CCCCC1C1CCCN1
InChIInChI=1S/C16H21ClN2O2/c17-11-6-7-15(20)12(10-11)16(21)19-9-2-1-5-14(19)13-4-3-8-18-13/h6-7,10,13-14,18,20H,1-5,8-9H2
InChIKeySYIARRMYEMEWOW-UHFFFAOYSA-N
XLogP2.79
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 63256807) is (5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(c1cc(Cl)ccc1O)N1CCCCC1C1CCCN1.
What is the InChIKey of (5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is SYIARRMYEMEWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c17-11-6-7-15(20)12(10-11)16(21)19-9-2-1-5-14(19)13-4-3-8-18-13/h6-7,10,13-14,18,20H,1-5,8-9H2.
What are the key properties of (5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 308.81 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 63256807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).