1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;tris(propan-2-ylcyclohexane);1-propan-2-ylpiperidine

C63H131N5 — CID 158688899

IUPAC1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;tris(propan-2-ylcyclohexane);1-propan-2-ylpiperidine
SMILESCC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)N1CCCCC1.CC1CCN(C(C)C)CC1.CCN1CCC(C(C)C)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C10H21N.C9H20N2.C9H19N.3C9H18.C8H17N/c1-4-11-7-5-10(6-8-11)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;4*1-8(2)9-6-4-3-5-7-9/h9-10H,4-8H2,1-3H3;9H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;3*8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyIGBZNCAAXWATEM-UHFFFAOYSA-N
MW958.78 g/mol
LogP17.08
Rot. Bonds9

About 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;tris(propan-2-ylcyclohexane);1-propan-2-ylpiperidine

1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;tris(propan-2-ylcyclohexane);1-propan-2-ylpiperidine (PubChem CID 158688899) has the molecular formula C63H131N5 and a molecular weight of 958.78 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;tris(propan-2-ylcyclohexane);1-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;tris(propan-2-ylcyclohexane);1-propan-2-ylpiperidine
PubChem CID158688899
Molecular FormulaC63H131N5
Molecular Weight958.78 g/mol
Exact Mass958.04
IUPAC Name1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;tris(propan-2-ylcyclohexane);1-propan-2-ylpiperidine
SMILESCC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)N1CCCCC1.CC1CCN(C(C)C)CC1.CCN1CCC(C(C)C)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C10H21N.C9H20N2.C9H19N.3C9H18.C8H17N/c1-4-11-7-5-10(6-8-11)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;4*1-8(2)9-6-4-3-5-7-9/h9-10H,4-8H2,1-3H3;9H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;3*8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyIGBZNCAAXWATEM-UHFFFAOYSA-N
XLogP17.08
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500958.78
LogP ≤ 517.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;tris(propan-2-ylcyclohexane);1-propan-2-ylpiperidine?
The IUPAC name of 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;tris(propan-2-ylcyclohexane);1-propan-2-ylpiperidine (CID 158688899) is 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;tris(propan-2-ylcyclohexane);1-propan-2-ylpiperidine.
What is the SMILES notation for 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;tris(propan-2-ylcyclohexane);1-propan-2-ylpiperidine?
The canonical SMILES for 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;tris(propan-2-ylcyclohexane);1-propan-2-ylpiperidine is CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)N1CCCCC1.CC1CCN(C(C)C)CC1.CCN1CCC(C(C)C)CC1.CCN1CCN(C(C)C)CC1.
What is the InChIKey of 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;tris(propan-2-ylcyclohexane);1-propan-2-ylpiperidine?
The InChIKey is IGBZNCAAXWATEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H20N2.C9H19N.3C9H18.C8H17N/c1-4-11-7-5-10(6-8-11)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;4*1-8(2)9-6-4-3-5-7-9/h9-10H,4-8H2,1-3H3;9H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;3*8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;tris(propan-2-ylcyclohexane);1-propan-2-ylpiperidine?
1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;tris(propan-2-ylcyclohexane);1-propan-2-ylpiperidine has a molecular weight of 958.78 g/mol, XLogP of 17.08, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;tris(propan-2-ylcyclohexane);1-propan-2-ylpiperidine is sourced from PubChem (CID 158688899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).