N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]propan-2-amine;molecular hydrogen

C17H38N4 — CID 176576480

IUPACN-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]propan-2-amine;molecular hydrogen
SMILESCCN1CCN(CC2CCN(CCNC(C)C)CC2)CC1.[H][H]
InChIInChI=1S/C17H36N4.H2/c1-4-19-11-13-21(14-12-19)15-17-5-8-20(9-6-17)10-7-18-16(2)3;/h16-18H,4-15H2,1-3H3;1H
InChIKeyFOHWALACXYPNCC-UHFFFAOYSA-N
MW298.52 g/mol
LogP1.58
Rot. Bonds7

About N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]propan-2-amine;molecular hydrogen

N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]propan-2-amine;molecular hydrogen (PubChem CID 176576480) has the molecular formula C17H38N4 and a molecular weight of 298.52 g/mol. Its IUPAC name is N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]propan-2-amine;molecular hydrogen.

Molecular Properties

Compound NameN-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]propan-2-amine;molecular hydrogen
PubChem CID176576480
Molecular FormulaC17H38N4
Molecular Weight298.52 g/mol
Exact Mass298.31
IUPAC NameN-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]propan-2-amine;molecular hydrogen
SMILESCCN1CCN(CC2CCN(CCNC(C)C)CC2)CC1.[H][H]
InChIInChI=1S/C17H36N4.H2/c1-4-19-11-13-21(14-12-19)15-17-5-8-20(9-6-17)10-7-18-16(2)3;/h16-18H,4-15H2,1-3H3;1H
InChIKeyFOHWALACXYPNCC-UHFFFAOYSA-N
XLogP1.58
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen
CID 156795305
1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen
CID 166113030
molecular hydrogen;N-[2-(propan-2-ylamino)ethyl]-2-[4-[(1-propylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide
CID 176576139
N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen
CID 171627808
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
3-methyl-1-[4-[[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one
CID 177119154
N-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 146359522
N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine
CID 63622599
N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine
CID 177193446
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
CID 53211384
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
1-[4-[[4-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one
CID 176577635

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]propan-2-amine;molecular hydrogen?
The IUPAC name of N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]propan-2-amine;molecular hydrogen (CID 176576480) is N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]propan-2-amine;molecular hydrogen.
What is the SMILES notation for N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]propan-2-amine;molecular hydrogen?
The canonical SMILES for N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]propan-2-amine;molecular hydrogen is CCN1CCN(CC2CCN(CCNC(C)C)CC2)CC1.[H][H].
What is the InChIKey of N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]propan-2-amine;molecular hydrogen?
The InChIKey is FOHWALACXYPNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4.H2/c1-4-19-11-13-21(14-12-19)15-17-5-8-20(9-6-17)10-7-18-16(2)3;/h16-18H,4-15H2,1-3H3;1H.
What are the key properties of N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]propan-2-amine;molecular hydrogen?
N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]propan-2-amine;molecular hydrogen has a molecular weight of 298.52 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]propan-2-amine;molecular hydrogen is sourced from PubChem (CID 176576480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).