ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine

C34H74N6O2 — CID 156885090

IUPACethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine
SMILESCC.CC.CCCN1CCC(OCCN2CCN(CC)CC2)CC1.CCCN1CCC(OCCN2CCNCC2)CC1
InChIInChI=1S/C16H33N3O.C14H29N3O.2C2H6/c1-3-7-18-8-5-16(6-9-18)20-15-14-19-12-10-17(4-2)11-13-19;1-2-7-16-8-3-14(4-9-16)18-13-12-17-10-5-15-6-11-17;2*1-2/h16H,3-15H2,1-2H3;14-15H,2-13H2,1H3;2*1-2H3
InChIKeyKDAGQGPVCVYQCN-UHFFFAOYSA-N
MW599.01 g/mol
LogP4.35
Rot. Bonds13

About ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine

ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine (PubChem CID 156885090) has the molecular formula C34H74N6O2 and a molecular weight of 599.01 g/mol. Its IUPAC name is ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine.

Molecular Properties

Compound Nameethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine
PubChem CID156885090
Molecular FormulaC34H74N6O2
Molecular Weight599.01 g/mol
Exact Mass598.59
IUPAC Nameethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine
SMILESCC.CC.CCCN1CCC(OCCN2CCN(CC)CC2)CC1.CCCN1CCC(OCCN2CCNCC2)CC1
InChIInChI=1S/C16H33N3O.C14H29N3O.2C2H6/c1-3-7-18-8-5-16(6-9-18)20-15-14-19-12-10-17(4-2)11-13-19;1-2-7-16-8-3-14(4-9-16)18-13-12-17-10-5-15-6-11-17;2*1-2/h16H,3-15H2,1-2H3;14-15H,2-13H2,1H3;2*1-2H3
InChIKeyKDAGQGPVCVYQCN-UHFFFAOYSA-N
XLogP4.35
TPSA46.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.01
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine with MolForge

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Related Compounds

1-ethyl-4-[2-(1-methylpiperidin-4-yl)oxyethyl]piperazine
CID 156884985
ethane;4-propoxy-1-propylpiperidine
CID 156867917
1-(2-cyclobutyloxyethyl)-4-ethylpiperazine
CID 142616194
4-(2-bromoethoxy)-1-propylpiperidine
CID 82691689
1-(2-piperidin-4-yloxyethyl)-4-propylpiperidine
CID 63902666
ethane;4-(2-methoxyethoxy)-1-propylpiperidine
CID 156885231
1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine
CID 155702560
4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine
CID 156885066
1-[2-(3,4-dimethylcyclohexyl)oxyethyl]piperazine
CID 64744385
4-[2-(2-ethoxyethoxy)ethoxy]-1-propylpiperidine
CID 156885045
N-methyl-2-(1-propylpiperidin-4-yl)oxyethanamine
CID 126619941
hydron;1-propylpiperazine;dibromide
CID 91980567

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine?
The IUPAC name of ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine (CID 156885090) is ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine.
What is the SMILES notation for ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine?
The canonical SMILES for ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine is CC.CC.CCCN1CCC(OCCN2CCN(CC)CC2)CC1.CCCN1CCC(OCCN2CCNCC2)CC1.
What is the InChIKey of ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine?
The InChIKey is KDAGQGPVCVYQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O.C14H29N3O.2C2H6/c1-3-7-18-8-5-16(6-9-18)20-15-14-19-12-10-17(4-2)11-13-19;1-2-7-16-8-3-14(4-9-16)18-13-12-17-10-5-15-6-11-17;2*1-2/h16H,3-15H2,1-2H3;14-15H,2-13H2,1H3;2*1-2H3.
What are the key properties of ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine?
ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine has a molecular weight of 599.01 g/mol, XLogP of 4.35, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine is sourced from PubChem (CID 156885090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).