ethane;1-ethyl-4-methylpiperazine;1-propan-2-ylpiperidine

C19H45N3 — CID 176978736

IUPACethane;1-ethyl-4-methylpiperazine;1-propan-2-ylpiperidine
SMILESCC.CC.CC(C)N1CCCCC1.CCN1CCN(C)CC1
InChIInChI=1S/C8H17N.C7H16N2.2C2H6/c1-8(2)9-6-4-3-5-7-9;1-3-9-6-4-8(2)5-7-9;2*1-2/h8H,3-7H2,1-2H3;3-7H2,1-2H3;2*1-2H3
InChIKeyLMVDJHKALHJPRD-UHFFFAOYSA-N
MW315.59 g/mol
LogP4.19
Rot. Bonds2

About ethane;1-ethyl-4-methylpiperazine;1-propan-2-ylpiperidine

ethane;1-ethyl-4-methylpiperazine;1-propan-2-ylpiperidine (PubChem CID 176978736) has the molecular formula C19H45N3 and a molecular weight of 315.59 g/mol. Its IUPAC name is ethane;1-ethyl-4-methylpiperazine;1-propan-2-ylpiperidine.

Molecular Properties

Compound Nameethane;1-ethyl-4-methylpiperazine;1-propan-2-ylpiperidine
PubChem CID176978736
Molecular FormulaC19H45N3
Molecular Weight315.59 g/mol
Exact Mass315.36
IUPAC Nameethane;1-ethyl-4-methylpiperazine;1-propan-2-ylpiperidine
SMILESCC.CC.CC(C)N1CCCCC1.CCN1CCN(C)CC1
InChIInChI=1S/C8H17N.C7H16N2.2C2H6/c1-8(2)9-6-4-3-5-7-9;1-3-9-6-4-8(2)5-7-9;2*1-2/h8H,3-7H2,1-2H3;3-7H2,1-2H3;2*1-2H3
InChIKeyLMVDJHKALHJPRD-UHFFFAOYSA-N
XLogP4.19
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.59
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
CID 170616932
ethane;1-methylazepane;1-propan-2-ylpiperidine
CID 170601993
1-ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine)
CID 158286556
1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
ethane;1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 170586549
ethane;1-ethyl-4-methylpiperazine;methanethiol
CID 142272147
ethane;1-propan-2-ylpyrrolidine
CID 167557798
ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167622043
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 82084531
butane;1-ethyl-4-methylpiperazine
CID 143179774
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-methylpiperazine;1-propan-2-ylpiperidine?
The IUPAC name of ethane;1-ethyl-4-methylpiperazine;1-propan-2-ylpiperidine (CID 176978736) is ethane;1-ethyl-4-methylpiperazine;1-propan-2-ylpiperidine.
What is the SMILES notation for ethane;1-ethyl-4-methylpiperazine;1-propan-2-ylpiperidine?
The canonical SMILES for ethane;1-ethyl-4-methylpiperazine;1-propan-2-ylpiperidine is CC.CC.CC(C)N1CCCCC1.CCN1CCN(C)CC1.
What is the InChIKey of ethane;1-ethyl-4-methylpiperazine;1-propan-2-ylpiperidine?
The InChIKey is LMVDJHKALHJPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H16N2.2C2H6/c1-8(2)9-6-4-3-5-7-9;1-3-9-6-4-8(2)5-7-9;2*1-2/h8H,3-7H2,1-2H3;3-7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-ethyl-4-methylpiperazine;1-propan-2-ylpiperidine?
ethane;1-ethyl-4-methylpiperazine;1-propan-2-ylpiperidine has a molecular weight of 315.59 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-methylpiperazine;1-propan-2-ylpiperidine is sourced from PubChem (CID 176978736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).