ethane;1-methyl-4-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperidin-4-yl]piperazine

C19H35N3 — CID 144607330

IUPACethane;1-methyl-4-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperidin-4-yl]piperazine
SMILESC=C(C)/C=C\C(=C)N1CCC(N2CCN(C)CC2)CC1.CC
InChIInChI=1S/C17H29N3.C2H6/c1-15(2)5-6-16(3)19-9-7-17(8-10-19)20-13-11-18(4)12-14-20;1-2/h5-6,17H,1,3,7-14H2,2,4H3;1-2H3/b6-5-;
InChIKeyFTCZVVXXRVJLBN-YSMBQZINSA-N
MW305.51 g/mol
LogP3.37
Rot. Bonds4

About ethane;1-methyl-4-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperidin-4-yl]piperazine

ethane;1-methyl-4-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperidin-4-yl]piperazine (PubChem CID 144607330) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is ethane;1-methyl-4-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperidin-4-yl]piperazine.

Molecular Properties

Compound Nameethane;1-methyl-4-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperidin-4-yl]piperazine
PubChem CID144607330
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC Nameethane;1-methyl-4-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperidin-4-yl]piperazine
SMILESC=C(C)/C=C\C(=C)N1CCC(N2CCN(C)CC2)CC1.CC
InChIInChI=1S/C17H29N3.C2H6/c1-15(2)5-6-16(3)19-9-7-17(8-10-19)20-13-11-18(4)12-14-20;1-2/h5-6,17H,1,3,7-14H2,2,4H3;1-2H3/b6-5-;
InChIKeyFTCZVVXXRVJLBN-YSMBQZINSA-N
XLogP3.37
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperidin-4-yl]piperazine?
The IUPAC name of ethane;1-methyl-4-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperidin-4-yl]piperazine (CID 144607330) is ethane;1-methyl-4-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperidin-4-yl]piperazine.
What is the SMILES notation for ethane;1-methyl-4-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperidin-4-yl]piperazine?
The canonical SMILES for ethane;1-methyl-4-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperidin-4-yl]piperazine is C=C(C)/C=C\C(=C)N1CCC(N2CCN(C)CC2)CC1.CC.
What is the InChIKey of ethane;1-methyl-4-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperidin-4-yl]piperazine?
The InChIKey is FTCZVVXXRVJLBN-YSMBQZINSA-N. The full InChI is InChI=1S/C17H29N3.C2H6/c1-15(2)5-6-16(3)19-9-7-17(8-10-19)20-13-11-18(4)12-14-20;1-2/h5-6,17H,1,3,7-14H2,2,4H3;1-2H3/b6-5-;.
What are the key properties of ethane;1-methyl-4-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperidin-4-yl]piperazine?
ethane;1-methyl-4-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperidin-4-yl]piperazine has a molecular weight of 305.51 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperidin-4-yl]piperazine is sourced from PubChem (CID 144607330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).