ethane;1-(5-methylhex-1-en-2-yl)-4-(1-methylpiperidin-4-yl)piperazine

C19H39N3 — CID 177134694

IUPACethane;1-(5-methylhex-1-en-2-yl)-4-(1-methylpiperidin-4-yl)piperazine
SMILESC=C(CCC(C)C)N1CCN(C2CCN(C)CC2)CC1.CC
InChIInChI=1S/C17H33N3.C2H6/c1-15(2)5-6-16(3)19-11-13-20(14-12-19)17-7-9-18(4)10-8-17;1-2/h15,17H,3,5-14H2,1-2,4H3;1-2H3
InChIKeyRDNRUSSFCZSKML-UHFFFAOYSA-N
MW309.54 g/mol
LogP3.67
Rot. Bonds5

About ethane;1-(5-methylhex-1-en-2-yl)-4-(1-methylpiperidin-4-yl)piperazine

ethane;1-(5-methylhex-1-en-2-yl)-4-(1-methylpiperidin-4-yl)piperazine (PubChem CID 177134694) has the molecular formula C19H39N3 and a molecular weight of 309.54 g/mol. Its IUPAC name is ethane;1-(5-methylhex-1-en-2-yl)-4-(1-methylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Nameethane;1-(5-methylhex-1-en-2-yl)-4-(1-methylpiperidin-4-yl)piperazine
PubChem CID177134694
Molecular FormulaC19H39N3
Molecular Weight309.54 g/mol
Exact Mass309.31
IUPAC Nameethane;1-(5-methylhex-1-en-2-yl)-4-(1-methylpiperidin-4-yl)piperazine
SMILESC=C(CCC(C)C)N1CCN(C2CCN(C)CC2)CC1.CC
InChIInChI=1S/C17H33N3.C2H6/c1-15(2)5-6-16(3)19-11-13-20(14-12-19)17-7-9-18(4)10-8-17;1-2/h15,17H,3,5-14H2,1-2,4H3;1-2H3
InChIKeyRDNRUSSFCZSKML-UHFFFAOYSA-N
XLogP3.67
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(5-methylhex-1-en-2-yl)-4-(1-methylpiperidin-4-yl)piperazine?
The IUPAC name of ethane;1-(5-methylhex-1-en-2-yl)-4-(1-methylpiperidin-4-yl)piperazine (CID 177134694) is ethane;1-(5-methylhex-1-en-2-yl)-4-(1-methylpiperidin-4-yl)piperazine.
What is the SMILES notation for ethane;1-(5-methylhex-1-en-2-yl)-4-(1-methylpiperidin-4-yl)piperazine?
The canonical SMILES for ethane;1-(5-methylhex-1-en-2-yl)-4-(1-methylpiperidin-4-yl)piperazine is C=C(CCC(C)C)N1CCN(C2CCN(C)CC2)CC1.CC.
What is the InChIKey of ethane;1-(5-methylhex-1-en-2-yl)-4-(1-methylpiperidin-4-yl)piperazine?
The InChIKey is RDNRUSSFCZSKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3.C2H6/c1-15(2)5-6-16(3)19-11-13-20(14-12-19)17-7-9-18(4)10-8-17;1-2/h15,17H,3,5-14H2,1-2,4H3;1-2H3.
What are the key properties of ethane;1-(5-methylhex-1-en-2-yl)-4-(1-methylpiperidin-4-yl)piperazine?
ethane;1-(5-methylhex-1-en-2-yl)-4-(1-methylpiperidin-4-yl)piperazine has a molecular weight of 309.54 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5-methylhex-1-en-2-yl)-4-(1-methylpiperidin-4-yl)piperazine is sourced from PubChem (CID 177134694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).