ethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine

C19H38N2 — CID 176984800

IUPACethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine
SMILESCC.CC1CCC2(CC1)CC(N1CCN(C(C)C)CC1)C2
InChIInChI=1S/C17H32N2.C2H6/c1-14(2)18-8-10-19(11-9-18)16-12-17(13-16)6-4-15(3)5-7-17;1-2/h14-16H,4-13H2,1-3H3;1-2H3
InChIKeyNXZKHOAXHADMRY-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.40
Rot. Bonds2

About ethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine

ethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine (PubChem CID 176984800) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is ethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Nameethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine
PubChem CID176984800
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Nameethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine
SMILESCC.CC1CCC2(CC1)CC(N1CCN(C(C)C)CC1)C2
InChIInChI=1S/C17H32N2.C2H6/c1-14(2)18-8-10-19(11-9-18)16-12-17(13-16)6-4-15(3)5-7-17;1-2/h14-16H,4-13H2,1-3H3;1-2H3
InChIKeyNXZKHOAXHADMRY-UHFFFAOYSA-N
XLogP4.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-7-azaspiro[3.5]nonane
CID 166030716
2-(4-tert-butylpiperidin-1-yl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 167091312
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
8-methyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 146509979
1-iodo-4-(7-propan-2-ylspiro[3.5]nonan-2-yl)piperazine
CID 176986618
ethane;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
CID 171508742
7-propan-2-yl-2-(3-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane
CID 167091313
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
1-(9-methylspiro[5.5]undecan-3-yl)azetidine
CID 90712443
3,8-dimethylspiro[4.4]nonane;ethane
CID 178108265
7-propan-2-yl-2-(5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-azaspiro[3.5]nonane
CID 166559678

Frequently Asked Questions

What is the IUPAC name of ethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine?
The IUPAC name of ethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine (CID 176984800) is ethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for ethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for ethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine is CC.CC1CCC2(CC1)CC(N1CCN(C(C)C)CC1)C2.
What is the InChIKey of ethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine?
The InChIKey is NXZKHOAXHADMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2.C2H6/c1-14(2)18-8-10-19(11-9-18)16-12-17(13-16)6-4-15(3)5-7-17;1-2/h14-16H,4-13H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine?
ethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine has a molecular weight of 294.53 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 176984800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).