N,N-dimethylethenamine;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine

C18H38N4 — CID 142386019

IUPACN,N-dimethylethenamine;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine
SMILESC=CN(C)C.CCN1CCC(CCN2CCN(C)CC2)CC1
InChIInChI=1S/C14H29N3.C4H9N/c1-3-16-7-4-14(5-8-16)6-9-17-12-10-15(2)11-13-17;1-4-5(2)3/h14H,3-13H2,1-2H3;4H,1H2,2-3H3
InChIKeyCVQYDPBBFBEDEG-UHFFFAOYSA-N
MW310.53 g/mol
LogP2.05
Rot. Bonds5

About N,N-dimethylethenamine;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine

N,N-dimethylethenamine;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine (PubChem CID 142386019) has the molecular formula C18H38N4 and a molecular weight of 310.53 g/mol. Its IUPAC name is N,N-dimethylethenamine;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine.

Molecular Properties

Compound NameN,N-dimethylethenamine;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine
PubChem CID142386019
Molecular FormulaC18H38N4
Molecular Weight310.53 g/mol
Exact Mass310.31
IUPAC NameN,N-dimethylethenamine;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine
SMILESC=CN(C)C.CCN1CCC(CCN2CCN(C)CC2)CC1
InChIInChI=1S/C14H29N3.C4H9N/c1-3-16-7-4-14(5-8-16)6-9-17-12-10-15(2)11-13-17;1-4-5(2)3/h14H,3-13H2,1-2H3;4H,1H2,2-3H3
InChIKeyCVQYDPBBFBEDEG-UHFFFAOYSA-N
XLogP2.05
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethenamine;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine?
The IUPAC name of N,N-dimethylethenamine;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine (CID 142386019) is N,N-dimethylethenamine;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine.
What is the SMILES notation for N,N-dimethylethenamine;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine?
The canonical SMILES for N,N-dimethylethenamine;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine is C=CN(C)C.CCN1CCC(CCN2CCN(C)CC2)CC1.
What is the InChIKey of N,N-dimethylethenamine;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine?
The InChIKey is CVQYDPBBFBEDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3.C4H9N/c1-3-16-7-4-14(5-8-16)6-9-17-12-10-15(2)11-13-17;1-4-5(2)3/h14H,3-13H2,1-2H3;4H,1H2,2-3H3.
What are the key properties of N,N-dimethylethenamine;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine?
N,N-dimethylethenamine;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine has a molecular weight of 310.53 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethenamine;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine is sourced from PubChem (CID 142386019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).