ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane

C18H37N3 — CID 155702527

IUPACethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
SMILESCC.CC(C)N1CCC2(CC1)CC(CN1CCNCC1)C2
InChIInChI=1S/C16H31N3.C2H6/c1-14(2)19-7-3-16(4-8-19)11-15(12-16)13-18-9-5-17-6-10-18;1-2/h14-15,17H,3-13H2,1-2H3;1-2H3
InChIKeyIJQXRHSGJVHXIL-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.82
Rot. Bonds3

About ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane

ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane (PubChem CID 155702527) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
PubChem CID155702527
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Nameethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
SMILESCC.CC(C)N1CCC2(CC1)CC(CN1CCNCC1)C2
InChIInChI=1S/C16H31N3.C2H6/c1-14(2)19-7-3-16(4-8-19)11-15(12-16)13-18-9-5-17-6-10-18;1-2/h14-15,17H,3-13H2,1-2H3;1-2H3
InChIKeyIJQXRHSGJVHXIL-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 155702528
3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525
2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 176760588
7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 155702599
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170952005
[1-[[2-(piperazin-1-ylmethyl)-7-azaspiro[3.5]nonan-7-yl]methyl]cyclopropyl]methanol
CID 171656853
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 174274213
N-methyl-1-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methanamine
CID 170211191
1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine
CID 126752886
1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 134505376
3-[(7-iodo-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 167091283

Frequently Asked Questions

What is the IUPAC name of ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane?
The IUPAC name of ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane (CID 155702527) is ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane.
What is the SMILES notation for ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane?
The canonical SMILES for ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane is CC.CC(C)N1CCC2(CC1)CC(CN1CCNCC1)C2.
What is the InChIKey of ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane?
The InChIKey is IJQXRHSGJVHXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3.C2H6/c1-14(2)19-7-3-16(4-8-19)11-15(12-16)13-18-9-5-17-6-10-18;1-2/h14-15,17H,3-13H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane?
ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane has a molecular weight of 295.51 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane is sourced from PubChem (CID 155702527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).