1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride

C16H33ClN2O2 — CID 119520484

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
SMILESCC(C)CC(C)OCCC(=O)N1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C16H32N2O2.ClH/c1-12(2)11-13(3)20-10-7-16(19)18-8-5-15(6-9-18)14(4)17;/h12-15H,5-11,17H2,1-4H3;1H
InChIKeyUUYYDPYVZYUKCR-UHFFFAOYSA-N
MW320.91 g/mol
LogP2.84
Rot. Bonds7

About 1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride

1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride (PubChem CID 119520484) has the molecular formula C16H33ClN2O2 and a molecular weight of 320.91 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
PubChem CID119520484
Molecular FormulaC16H33ClN2O2
Molecular Weight320.91 g/mol
Exact Mass320.22
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
SMILESCC(C)CC(C)OCCC(=O)N1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C16H32N2O2.ClH/c1-12(2)11-13(3)20-10-7-16(19)18-8-5-15(6-9-18)14(4)17;/h12-15H,5-11,17H2,1-4H3;1H
InChIKeyUUYYDPYVZYUKCR-UHFFFAOYSA-N
XLogP2.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.91
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 119517505
1-(4-hydroxypiperidin-1-yl)-3-(4-methylpentan-2-yloxy)propan-1-one
CID 71856930
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119647919
1-[4-(methylaminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119546517
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119517254
1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride
CID 119520948
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 119260463
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119634234
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
CID 119519992
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 63596026
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-3-propoxypropan-1-one
CID 103975895

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride (CID 119520484) is 1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride is CC(C)CC(C)OCCC(=O)N1CCC(C(C)N)CC1.Cl.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride?
The InChIKey is UUYYDPYVZYUKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2.ClH/c1-12(2)11-13(3)20-10-7-16(19)18-8-5-15(6-9-18)14(4)17;/h12-15H,5-11,17H2,1-4H3;1H.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride?
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride has a molecular weight of 320.91 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride is sourced from PubChem (CID 119520484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).