ethane;2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanamine;formaldehyde;molecular hydrogen

C16H38N4O — CID 156837051

IUPACethane;2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanamine;formaldehyde;molecular hydrogen
SMILESC=O.CC.CCN1CCN(C2CCN(CCN)CC2)CC1.[H][H]
InChIInChI=1S/C13H28N4.C2H6.CH2O.H2/c1-2-15-9-11-17(12-10-15)13-3-6-16(7-4-13)8-5-14;2*1-2;/h13H,2-12,14H2,1H3;1-2H3;1H2;1H
InChIKeyPCXOQIDLQCPUQL-UHFFFAOYSA-N
MW302.51 g/mol
LogP1.13
Rot. Bonds4

About ethane;2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanamine;formaldehyde;molecular hydrogen

ethane;2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanamine;formaldehyde;molecular hydrogen (PubChem CID 156837051) has the molecular formula C16H38N4O and a molecular weight of 302.51 g/mol. Its IUPAC name is ethane;2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanamine;formaldehyde;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanamine;formaldehyde;molecular hydrogen
PubChem CID156837051
Molecular FormulaC16H38N4O
Molecular Weight302.51 g/mol
Exact Mass302.30
IUPAC Nameethane;2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanamine;formaldehyde;molecular hydrogen
SMILESC=O.CC.CCN1CCN(C2CCN(CCN)CC2)CC1.[H][H]
InChIInChI=1S/C13H28N4.C2H6.CH2O.H2/c1-2-15-9-11-17(12-10-15)13-3-6-16(7-4-13)8-5-14;2*1-2;/h13H,2-12,14H2,1H3;1-2H3;1H2;1H
InChIKeyPCXOQIDLQCPUQL-UHFFFAOYSA-N
XLogP1.13
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-Methylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 18001661
CID 18002037
CID 18002037
2-[4-(1-Ethylpiperidin-4-yl)piperazin-1-yl]ethanamine
CID 54126811
3-(4-Butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine
CID 54346407
1-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-3-amine
CID 58904732
3-(2-Methylpiperidin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine
CID 67581365
3-[1-(3-Aminopropyl)piperazin-2-yl]propan-1-amine;2-piperazin-1-ylethanamine
CID 70538404
3-[4-(1-Methyl-piperidin-4-yl)-piperazin-1-yl]-propylamine
CID 70837487
N-ethyl-1-[2-[methyl(piperidin-4-yl)amino]ethyl]piperidin-4-amine
CID 123831816
1-[1-(4-Propan-2-ylpiperazin-2-yl)propan-2-yl]piperidin-4-amine
CID 129168989
N'-[2-[2-[2-aminoethyl-[2-[1,4-bis(2-aminoethyl)-5-[[(5R)-1,4-bis(2-aminoethyl)-5-methylpiperazin-2-yl]methyl]piperazin-2-yl]ethyl]amino]ethyl-[2-[2-aminoethyl(methyl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine
CID 129181315
3-Methyl-1-[1-(4-propan-2-ylpiperazin-2-yl)propan-2-yl]piperazine
CID 129214659

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanamine;formaldehyde;molecular hydrogen?
The IUPAC name of ethane;2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanamine;formaldehyde;molecular hydrogen (CID 156837051) is ethane;2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanamine;formaldehyde;molecular hydrogen.
What is the SMILES notation for ethane;2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanamine;formaldehyde;molecular hydrogen?
The canonical SMILES for ethane;2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanamine;formaldehyde;molecular hydrogen is C=O.CC.CCN1CCN(C2CCN(CCN)CC2)CC1.[H][H].
What is the InChIKey of ethane;2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanamine;formaldehyde;molecular hydrogen?
The InChIKey is PCXOQIDLQCPUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4.C2H6.CH2O.H2/c1-2-15-9-11-17(12-10-15)13-3-6-16(7-4-13)8-5-14;2*1-2;/h13H,2-12,14H2,1H3;1-2H3;1H2;1H.
What are the key properties of ethane;2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanamine;formaldehyde;molecular hydrogen?
ethane;2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanamine;formaldehyde;molecular hydrogen has a molecular weight of 302.51 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanamine;formaldehyde;molecular hydrogen is sourced from PubChem (CID 156837051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).