1-cyclopentyl-5-(1,2,3,4-tetramethylpiperidin-3-yl)pentan-3-one;hydrochloride

C19H36ClNO — CID 19099567

IUPAC1-cyclopentyl-5-(1,2,3,4-tetramethylpiperidin-3-yl)pentan-3-one;hydrochloride
SMILESCC1CCN(C)C(C)C1(C)CCC(=O)CCC1CCCC1.Cl
InChIInChI=1S/C19H35NO.ClH/c1-15-12-14-20(4)16(2)19(15,3)13-11-18(21)10-9-17-7-5-6-8-17;/h15-17H,5-14H2,1-4H3;1H
InChIKeyYLJKMGMYTUTZAP-UHFFFAOYSA-N
MW329.96 g/mol
LogP5.09
Rot. Bonds6

About 1-cyclopentyl-5-(1,2,3,4-tetramethylpiperidin-3-yl)pentan-3-one;hydrochloride

1-cyclopentyl-5-(1,2,3,4-tetramethylpiperidin-3-yl)pentan-3-one;hydrochloride (PubChem CID 19099567) has the molecular formula C19H36ClNO and a molecular weight of 329.96 g/mol. Its IUPAC name is 1-cyclopentyl-5-(1,2,3,4-tetramethylpiperidin-3-yl)pentan-3-one;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-5-(1,2,3,4-tetramethylpiperidin-3-yl)pentan-3-one;hydrochloride
PubChem CID19099567
Molecular FormulaC19H36ClNO
Molecular Weight329.96 g/mol
Exact Mass329.25
IUPAC Name1-cyclopentyl-5-(1,2,3,4-tetramethylpiperidin-3-yl)pentan-3-one;hydrochloride
SMILESCC1CCN(C)C(C)C1(C)CCC(=O)CCC1CCCC1.Cl
InChIInChI=1S/C19H35NO.ClH/c1-15-12-14-20(4)16(2)19(15,3)13-11-18(21)10-9-17-7-5-6-8-17;/h15-17H,5-14H2,1-4H3;1H
InChIKeyYLJKMGMYTUTZAP-UHFFFAOYSA-N
XLogP5.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.96
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-(1,2,3,4-tetramethylpiperidin-3-yl)pentan-3-one;hydrochloride?
The IUPAC name of 1-cyclopentyl-5-(1,2,3,4-tetramethylpiperidin-3-yl)pentan-3-one;hydrochloride (CID 19099567) is 1-cyclopentyl-5-(1,2,3,4-tetramethylpiperidin-3-yl)pentan-3-one;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-5-(1,2,3,4-tetramethylpiperidin-3-yl)pentan-3-one;hydrochloride?
The canonical SMILES for 1-cyclopentyl-5-(1,2,3,4-tetramethylpiperidin-3-yl)pentan-3-one;hydrochloride is CC1CCN(C)C(C)C1(C)CCC(=O)CCC1CCCC1.Cl.
What is the InChIKey of 1-cyclopentyl-5-(1,2,3,4-tetramethylpiperidin-3-yl)pentan-3-one;hydrochloride?
The InChIKey is YLJKMGMYTUTZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO.ClH/c1-15-12-14-20(4)16(2)19(15,3)13-11-18(21)10-9-17-7-5-6-8-17;/h15-17H,5-14H2,1-4H3;1H.
What are the key properties of 1-cyclopentyl-5-(1,2,3,4-tetramethylpiperidin-3-yl)pentan-3-one;hydrochloride?
1-cyclopentyl-5-(1,2,3,4-tetramethylpiperidin-3-yl)pentan-3-one;hydrochloride has a molecular weight of 329.96 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(1,2,3,4-tetramethylpiperidin-3-yl)pentan-3-one;hydrochloride is sourced from PubChem (CID 19099567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).