1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine

C16H33N3O — CID 107505660

IUPAC1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine
SMILESCCCNC(COC)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H33N3O/c1-3-8-17-15(14-20-2)13-18-9-11-19(12-10-18)16-6-4-5-7-16/h15-17H,3-14H2,1-2H3
InChIKeyBNIQRTDUZONYBG-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.56
Rot. Bonds8

About 1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine

1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine (PubChem CID 107505660) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine
PubChem CID107505660
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine
SMILESCCCNC(COC)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H33N3O/c1-3-8-17-15(14-20-2)13-18-9-11-19(12-10-18)16-6-4-5-7-16/h15-17H,3-14H2,1-2H3
InChIKeyBNIQRTDUZONYBG-UHFFFAOYSA-N
XLogP1.56
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-3-methoxypropan-2-amine
CID 107505868
1-methoxy-N-propyl-3-(4-propylpiperidin-1-yl)propan-2-amine
CID 107505652
1-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylpiperidin-3-amine
CID 107505847
N,N-diethyl-1-[3-methoxy-2-(propylamino)propyl]pyrrolidin-3-amine
CID 107505722
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methoxy-N-methylpropan-2-amine
CID 107505877
N-ethyl-1-methoxy-3-pyrrolidin-1-ylpropan-2-amine
CID 107505229
1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 55063736
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475228
N-ethyl-1-methoxy-3-(4-methylpiperidin-1-yl)propan-2-amine
CID 107505226
1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine
CID 64569510
1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine
CID 106586522
N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]propan-1-amine
CID 62369763

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine (CID 107505660) is 1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine is CCCNC(COC)CN1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine?
The InChIKey is BNIQRTDUZONYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-3-8-17-15(14-20-2)13-18-9-11-19(12-10-18)16-6-4-5-7-16/h15-17H,3-14H2,1-2H3.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine?
1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine has a molecular weight of 283.46 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine is sourced from PubChem (CID 107505660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).