ethane;N-methyl-3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]prop-1-en-2-amine

C17H36N4 — CID 142597003

IUPACethane;N-methyl-3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]prop-1-en-2-amine
SMILESC=C(CN1CCN(CCN2CCCCC2)CC1)NC.CC
InChIInChI=1S/C15H30N4.C2H6/c1-15(16-2)14-19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17;1-2/h16H,1,3-14H2,2H3;1-2H3
InChIKeyGGLRVQZESVYQGD-UHFFFAOYSA-N
MW296.50 g/mol
LogP1.85
Rot. Bonds6

About ethane;N-methyl-3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]prop-1-en-2-amine

ethane;N-methyl-3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]prop-1-en-2-amine (PubChem CID 142597003) has the molecular formula C17H36N4 and a molecular weight of 296.50 g/mol. Its IUPAC name is ethane;N-methyl-3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]prop-1-en-2-amine.

Molecular Properties

Compound Nameethane;N-methyl-3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]prop-1-en-2-amine
PubChem CID142597003
Molecular FormulaC17H36N4
Molecular Weight296.50 g/mol
Exact Mass296.29
IUPAC Nameethane;N-methyl-3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]prop-1-en-2-amine
SMILESC=C(CN1CCN(CCN2CCCCC2)CC1)NC.CC
InChIInChI=1S/C15H30N4.C2H6/c1-15(16-2)14-19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17;1-2/h16H,1,3-14H2,2H3;1-2H3
InChIKeyGGLRVQZESVYQGD-UHFFFAOYSA-N
XLogP1.85
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;N-methyl-3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]prop-1-en-2-amine with MolForge

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Related Compounds

N-methyl-1-(3-piperidin-1-ylprop-1-en-2-yl)piperidin-4-amine
CID 67557542
N-methyl-3-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine
CID 135167698
N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine
CID 135167819
1-(1-methylpiperidin-4-yl)-4-propylpiperazine;N-methylprop-1-en-2-amine
CID 141822923
N-(2-piperidin-1-ylethyl)prop-1-en-2-amine
CID 142113057
ethane;6-ethyl-4-methyl-2-methylidene-3,4a,5,7,8,8a-hexahydro-1H-pyrido[3,4-b]pyrazine
CID 142187788
ethane;2-N-methyl-1-N-[2-(2-piperidin-1-ylethylamino)ethyl]prop-2-ene-1,2-diamine
CID 142390641
ethane;N-methylmethanamine;1-methyl-4-(1-prop-2-enylpiperidin-4-yl)piperazine
CID 142390708
N-methyl-3-(4-propylpiperazin-1-yl)prop-1-en-2-amine;N-methyl-N-propylpropan-1-amine
CID 142390913
ethane;N-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-en-2-amine
CID 142597182
1-(3-Piperidin-1-ylprop-1-en-2-yl)piperidin-4-amine
CID 142872804
(E)-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]but-2-en-2-amine
CID 143378344

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]prop-1-en-2-amine?
The IUPAC name of ethane;N-methyl-3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]prop-1-en-2-amine (CID 142597003) is ethane;N-methyl-3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]prop-1-en-2-amine.
What is the SMILES notation for ethane;N-methyl-3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]prop-1-en-2-amine?
The canonical SMILES for ethane;N-methyl-3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]prop-1-en-2-amine is C=C(CN1CCN(CCN2CCCCC2)CC1)NC.CC.
What is the InChIKey of ethane;N-methyl-3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]prop-1-en-2-amine?
The InChIKey is GGLRVQZESVYQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4.C2H6/c1-15(16-2)14-19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17;1-2/h16H,1,3-14H2,2H3;1-2H3.
What are the key properties of ethane;N-methyl-3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]prop-1-en-2-amine?
ethane;N-methyl-3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]prop-1-en-2-amine has a molecular weight of 296.50 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]prop-1-en-2-amine is sourced from PubChem (CID 142597003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).