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

C18H34ClNO — CID 19099566

IUPAC1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one;hydrochloride
SMILESCC1CCNC(C)C1(C)CCC(=O)CCC1CCCC1.Cl
InChIInChI=1S/C18H33NO.ClH/c1-14-11-13-19-15(2)18(14,3)12-10-17(20)9-8-16-6-4-5-7-16;/h14-16,19H,4-13H2,1-3H3;1H
InChIKeyOHHSJGOWMKUETD-UHFFFAOYSA-N
MW315.93 g/mol
LogP4.75
Rot. Bonds6

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

1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one;hydrochloride (PubChem CID 19099566) has the molecular formula C18H34ClNO and a molecular weight of 315.93 g/mol. Its IUPAC name is 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one;hydrochloride
PubChem CID19099566
Molecular FormulaC18H34ClNO
Molecular Weight315.93 g/mol
Exact Mass315.23
IUPAC Name1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one;hydrochloride
SMILESCC1CCNC(C)C1(C)CCC(=O)CCC1CCCC1.Cl
InChIInChI=1S/C18H33NO.ClH/c1-14-11-13-19-15(2)18(14,3)12-10-17(20)9-8-16-6-4-5-7-16;/h14-16,19H,4-13H2,1-3H3;1H
InChIKeyOHHSJGOWMKUETD-UHFFFAOYSA-N
XLogP4.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.93
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one;hydrochloride?
The IUPAC name of 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one;hydrochloride (CID 19099566) is 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one;hydrochloride?
The canonical SMILES for 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one;hydrochloride is CC1CCNC(C)C1(C)CCC(=O)CCC1CCCC1.Cl.
What is the InChIKey of 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one;hydrochloride?
The InChIKey is OHHSJGOWMKUETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO.ClH/c1-14-11-13-19-15(2)18(14,3)12-10-17(20)9-8-16-6-4-5-7-16;/h14-16,19H,4-13H2,1-3H3;1H.
What are the key properties of 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one;hydrochloride?
1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one;hydrochloride has a molecular weight of 315.93 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(2,3,4-trimethylpiperidin-3-yl)pentan-3-one;hydrochloride is sourced from PubChem (CID 19099566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).