4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride

C17H26ClNO4 — CID 6420013

IUPAC4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride
SMILESCOc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1.Cl
InChIInChI=1S/C17H25NO4.ClH/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18;/h11-12H,4-10H2,1-3H3;1H
InChIKeyZDPACSAHMZADFZ-UHFFFAOYSA-N
MW343.85 g/mol
LogP3.19
Rot. Bonds8

About 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride

4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride (PubChem CID 6420013) has the molecular formula C17H26ClNO4 and a molecular weight of 343.85 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride
PubChem CID6420013
Molecular FormulaC17H26ClNO4
Molecular Weight343.85 g/mol
Exact Mass343.16
IUPAC Name4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride
SMILESCOc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1.Cl
InChIInChI=1S/C17H25NO4.ClH/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18;/h11-12H,4-10H2,1-3H3;1H
InChIKeyZDPACSAHMZADFZ-UHFFFAOYSA-N
XLogP3.19
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride?
The IUPAC name of 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride (CID 6420013) is 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride.
What is the SMILES notation for 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride?
The canonical SMILES for 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride is COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1.Cl.
What is the InChIKey of 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride?
The InChIKey is ZDPACSAHMZADFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4.ClH/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18;/h11-12H,4-10H2,1-3H3;1H.
What are the key properties of 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride?
4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride has a molecular weight of 343.85 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride is sourced from PubChem (CID 6420013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).