1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine

C16H34N4 — CID 104745994

IUPAC1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine
SMILESCNC(CN1CCN(CCN(C)C)CC1)C1CCCC1
InChIInChI=1S/C16H34N4/c1-17-16(15-6-4-5-7-15)14-20-12-10-19(11-13-20)9-8-18(2)3/h15-17H,4-14H2,1-3H3
InChIKeyVRFAKEISYXWNIJ-UHFFFAOYSA-N
MW282.48 g/mol
LogP0.94
Rot. Bonds7

About 1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine

1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine (PubChem CID 104745994) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is 1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine
PubChem CID104745994
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine
SMILESCNC(CN1CCN(CCN(C)C)CC1)C1CCCC1
InChIInChI=1S/C16H34N4/c1-17-16(15-6-4-5-7-15)14-20-12-10-19(11-13-20)9-8-18(2)3/h15-17H,4-14H2,1-3H3
InChIKeyVRFAKEISYXWNIJ-UHFFFAOYSA-N
XLogP0.94
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine?
The IUPAC name of 1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine (CID 104745994) is 1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine.
What is the SMILES notation for 1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine?
The canonical SMILES for 1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine is CNC(CN1CCN(CCN(C)C)CC1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine?
The InChIKey is VRFAKEISYXWNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-17-16(15-6-4-5-7-15)14-20-12-10-19(11-13-20)9-8-18(2)3/h15-17H,4-14H2,1-3H3.
What are the key properties of 1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine?
1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine has a molecular weight of 282.48 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine is sourced from PubChem (CID 104745994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).