ethane;9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane

C20H43N3 — CID 171641602

IUPACethane;9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane
SMILESCC.CC.CCN1CCN(C2CCC3(CCNCC3)CC2)CC1
InChIInChI=1S/C16H31N3.2C2H6/c1-2-18-11-13-19(14-12-18)15-3-5-16(6-4-15)7-9-17-10-8-16;2*1-2/h15,17H,2-14H2,1H3;2*1-2H3
InChIKeyACYZDBXCXQIHJV-UHFFFAOYSA-N
MW325.58 g/mol
LogP3.99
Rot. Bonds2

About ethane;9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane

ethane;9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane (PubChem CID 171641602) has the molecular formula C20H43N3 and a molecular weight of 325.58 g/mol. Its IUPAC name is ethane;9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Nameethane;9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane
PubChem CID171641602
Molecular FormulaC20H43N3
Molecular Weight325.58 g/mol
Exact Mass325.35
IUPAC Nameethane;9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane
SMILESCC.CC.CCN1CCN(C2CCC3(CCNCC3)CC2)CC1
InChIInChI=1S/C16H31N3.2C2H6/c1-2-18-11-13-19(14-12-18)15-3-5-16(6-4-15)7-9-17-10-8-16;2*1-2/h15,17H,2-14H2,1H3;2*1-2H3
InChIKeyACYZDBXCXQIHJV-UHFFFAOYSA-N
XLogP3.99
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.58
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane
CID 171641603
3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane
CID 146248908
(1S)-1-[1-(3-azaspiro[5.5]undecan-9-yl)piperidin-4-yl]-3-methylbutan-1-ol
CID 95216595
1-[1-(3-azaspiro[5.5]undecan-9-yl)piperidin-4-yl]-3-methylbutan-1-ol
CID 56716999
ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidin-4-ol
CID 178029584
1-cyclopropyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine
CID 63122830
1-ethyl-4-(4-methylcyclohexyl)piperazine
CID 784289
1-cyclohexyl-4-ethylpiperazine;hydrochloride
CID 44598236
ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidine;propane
CID 178029460
8-ethyl-2,8-diazaspiro[4.5]decane
CID 46318290
9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane
CID 175622855
1-(1-ethylpiperidin-4-yl)-4-(pyrrolidin-3-ylmethyl)piperazine
CID 170063851

Frequently Asked Questions

What is the IUPAC name of ethane;9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane?
The IUPAC name of ethane;9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane (CID 171641602) is ethane;9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane.
What is the SMILES notation for ethane;9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane?
The canonical SMILES for ethane;9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane is CC.CC.CCN1CCN(C2CCC3(CCNCC3)CC2)CC1.
What is the InChIKey of ethane;9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane?
The InChIKey is ACYZDBXCXQIHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3.2C2H6/c1-2-18-11-13-19(14-12-18)15-3-5-16(6-4-15)7-9-17-10-8-16;2*1-2/h15,17H,2-14H2,1H3;2*1-2H3.
What are the key properties of ethane;9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane?
ethane;9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane has a molecular weight of 325.58 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane is sourced from PubChem (CID 171641602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).