ethane;4-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpiperidine;4-[(4-ethylcyclohexyl)methyl]-1-methylpiperidine;1-ethyl-4-(3-ethylcyclobutyl)oxypiperidine

C45H89N3O — CID 176984189

IUPACethane;4-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpiperidine;4-[(4-ethylcyclohexyl)methyl]-1-methylpiperidine;1-ethyl-4-(3-ethylcyclobutyl)oxypiperidine
SMILESCC.CCC1CC(CC2CCN(C(C)C)CC2)C1.CCC1CC(OC2CCN(CC)CC2)C1.CCC1CCC(CC2CCN(C)CC2)CC1
InChIInChI=1S/2C15H29N.C13H25NO.C2H6/c1-4-13-9-15(10-13)11-14-5-7-16(8-6-14)12(2)3;1-3-13-4-6-14(7-5-13)12-15-8-10-16(2)11-9-15;1-3-11-9-13(10-11)15-12-5-7-14(4-2)8-6-12;1-2/h12-15H,4-11H2,1-3H3;13-15H,3-12H2,1-2H3;11-13H,3-10H2,1-2H3;1-2H3
InChIKeyKPOGCFICXSZYPH-UHFFFAOYSA-N
MW688.23 g/mol
LogP11.57
Rot. Bonds11

About ethane;4-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpiperidine;4-[(4-ethylcyclohexyl)methyl]-1-methylpiperidine;1-ethyl-4-(3-ethylcyclobutyl)oxypiperidine

ethane;4-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpiperidine;4-[(4-ethylcyclohexyl)methyl]-1-methylpiperidine;1-ethyl-4-(3-ethylcyclobutyl)oxypiperidine (PubChem CID 176984189) has the molecular formula C45H89N3O and a molecular weight of 688.23 g/mol. Its IUPAC name is ethane;4-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpiperidine;4-[(4-ethylcyclohexyl)methyl]-1-methylpiperidine;1-ethyl-4-(3-ethylcyclobutyl)oxypiperidine.

Molecular Properties

Compound Nameethane;4-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpiperidine;4-[(4-ethylcyclohexyl)methyl]-1-methylpiperidine;1-ethyl-4-(3-ethylcyclobutyl)oxypiperidine
PubChem CID176984189
Molecular FormulaC45H89N3O
Molecular Weight688.23 g/mol
Exact Mass687.70
IUPAC Nameethane;4-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpiperidine;4-[(4-ethylcyclohexyl)methyl]-1-methylpiperidine;1-ethyl-4-(3-ethylcyclobutyl)oxypiperidine
SMILESCC.CCC1CC(CC2CCN(C(C)C)CC2)C1.CCC1CC(OC2CCN(CC)CC2)C1.CCC1CCC(CC2CCN(C)CC2)CC1
InChIInChI=1S/2C15H29N.C13H25NO.C2H6/c1-4-13-9-15(10-13)11-14-5-7-16(8-6-14)12(2)3;1-3-13-4-6-14(7-5-13)12-15-8-10-16(2)11-9-15;1-3-11-9-13(10-11)15-12-5-7-14(4-2)8-6-12;1-2/h12-15H,4-11H2,1-3H3;13-15H,3-12H2,1-2H3;11-13H,3-10H2,1-2H3;1-2H3
InChIKeyKPOGCFICXSZYPH-UHFFFAOYSA-N
XLogP11.57
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.23
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;4-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpiperidine;4-[(4-ethylcyclohexyl)methyl]-1-methylpiperidine;1-ethyl-4-(3-ethylcyclobutyl)oxypiperidine with MolForge

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Launch Full Analysis

Related Compounds

1-ethyl-4-[[3-(1-methylpiperidin-4-yl)oxycyclobutyl]methyl]piperazine
CID 171641465
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 171094387
3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine
CID 177228245
1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine
CID 171641415
1,4-diethylpiperidine;1-ethyl-4-methylpiperazine
CID 143157970
1,4-diethylpiperidine;ethane
CID 143709904
4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine
CID 158397131
4-(4-ethylcyclohexyl)oxy-1-propan-2-ylpiperidine;1-[2-(3-methylbutoxy)ethyl]-4-propan-2-ylpiperazine
CID 176986204
4-cyclobutyloxy-1-ethylpiperidine;ethane
CID 176982865
1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine
CID 155702560
1-propan-2-yl-4-(3-propan-2-ylcyclobutyl)oxypiperidine
CID 177123010
4-ethyl-1-methylpiperidine;methoxymethane
CID 90698783

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpiperidine;4-[(4-ethylcyclohexyl)methyl]-1-methylpiperidine;1-ethyl-4-(3-ethylcyclobutyl)oxypiperidine?
The IUPAC name of ethane;4-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpiperidine;4-[(4-ethylcyclohexyl)methyl]-1-methylpiperidine;1-ethyl-4-(3-ethylcyclobutyl)oxypiperidine (CID 176984189) is ethane;4-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpiperidine;4-[(4-ethylcyclohexyl)methyl]-1-methylpiperidine;1-ethyl-4-(3-ethylcyclobutyl)oxypiperidine.
What is the SMILES notation for ethane;4-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpiperidine;4-[(4-ethylcyclohexyl)methyl]-1-methylpiperidine;1-ethyl-4-(3-ethylcyclobutyl)oxypiperidine?
The canonical SMILES for ethane;4-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpiperidine;4-[(4-ethylcyclohexyl)methyl]-1-methylpiperidine;1-ethyl-4-(3-ethylcyclobutyl)oxypiperidine is CC.CCC1CC(CC2CCN(C(C)C)CC2)C1.CCC1CC(OC2CCN(CC)CC2)C1.CCC1CCC(CC2CCN(C)CC2)CC1.
What is the InChIKey of ethane;4-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpiperidine;4-[(4-ethylcyclohexyl)methyl]-1-methylpiperidine;1-ethyl-4-(3-ethylcyclobutyl)oxypiperidine?
The InChIKey is KPOGCFICXSZYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H29N.C13H25NO.C2H6/c1-4-13-9-15(10-13)11-14-5-7-16(8-6-14)12(2)3;1-3-13-4-6-14(7-5-13)12-15-8-10-16(2)11-9-15;1-3-11-9-13(10-11)15-12-5-7-14(4-2)8-6-12;1-2/h12-15H,4-11H2,1-3H3;13-15H,3-12H2,1-2H3;11-13H,3-10H2,1-2H3;1-2H3.
What are the key properties of ethane;4-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpiperidine;4-[(4-ethylcyclohexyl)methyl]-1-methylpiperidine;1-ethyl-4-(3-ethylcyclobutyl)oxypiperidine?
ethane;4-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpiperidine;4-[(4-ethylcyclohexyl)methyl]-1-methylpiperidine;1-ethyl-4-(3-ethylcyclobutyl)oxypiperidine has a molecular weight of 688.23 g/mol, XLogP of 11.57, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpiperidine;4-[(4-ethylcyclohexyl)methyl]-1-methylpiperidine;1-ethyl-4-(3-ethylcyclobutyl)oxypiperidine is sourced from PubChem (CID 176984189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).