4,4-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;4-ethyl-4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-ylpiperidine

C68H141N7 — CID 160771818

IUPAC4,4-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;4-ethyl-4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C(C)C)CC1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCC2(CC1)CC2.CC(C)N1CCCCC1.CC(C)N1CCCCC1C.CC1CCN(C(C)C)CC1.CCC1(C)CCN(C(C)C)CC1
InChIInChI=1S/2C11H23N.C10H19N.C10H21N.2C9H19N.C8H17N/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-5-11(4)6-8-12(9-7-11)10(2)3;1-9(2)11-7-5-10(3-4-10)6-8-11;1-9(2)11-7-5-10(3,4)6-8-11;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-8(2)9-6-4-3-5-7-9/h9-11H,5-8H2,1-4H3;10H,5-9H2,1-4H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;2*8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyRZKMNVRAIQBQIS-UHFFFAOYSA-N
MW1056.92 g/mol
LogP16.73
Rot. Bonds9

About 4,4-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;4-ethyl-4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-ylpiperidine

4,4-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;4-ethyl-4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-ylpiperidine (PubChem CID 160771818) has the molecular formula C68H141N7 and a molecular weight of 1056.92 g/mol. Its IUPAC name is 4,4-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;4-ethyl-4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4,4-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;4-ethyl-4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-ylpiperidine
PubChem CID160771818
Molecular FormulaC68H141N7
Molecular Weight1056.92 g/mol
Exact Mass1056.12
IUPAC Name4,4-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;4-ethyl-4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C(C)C)CC1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCC2(CC1)CC2.CC(C)N1CCCCC1.CC(C)N1CCCCC1C.CC1CCN(C(C)C)CC1.CCC1(C)CCN(C(C)C)CC1
InChIInChI=1S/2C11H23N.C10H19N.C10H21N.2C9H19N.C8H17N/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-5-11(4)6-8-12(9-7-11)10(2)3;1-9(2)11-7-5-10(3-4-10)6-8-11;1-9(2)11-7-5-10(3,4)6-8-11;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-8(2)9-6-4-3-5-7-9/h9-11H,5-8H2,1-4H3;10H,5-9H2,1-4H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;2*8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyRZKMNVRAIQBQIS-UHFFFAOYSA-N
XLogP16.73
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001056.92
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4,4-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;4-ethyl-4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-ylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;4-ethyl-4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-ylpiperidine?
The IUPAC name of 4,4-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;4-ethyl-4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-ylpiperidine (CID 160771818) is 4,4-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;4-ethyl-4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-ylpiperidine.
What is the SMILES notation for 4,4-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;4-ethyl-4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-ylpiperidine?
The canonical SMILES for 4,4-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;4-ethyl-4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-ylpiperidine is CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCC2(CC1)CC2.CC(C)N1CCCCC1.CC(C)N1CCCCC1C.CC1CCN(C(C)C)CC1.CCC1(C)CCN(C(C)C)CC1.
What is the InChIKey of 4,4-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;4-ethyl-4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-ylpiperidine?
The InChIKey is RZKMNVRAIQBQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H23N.C10H19N.C10H21N.2C9H19N.C8H17N/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-5-11(4)6-8-12(9-7-11)10(2)3;1-9(2)11-7-5-10(3-4-10)6-8-11;1-9(2)11-7-5-10(3,4)6-8-11;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-8(2)9-6-4-3-5-7-9/h9-11H,5-8H2,1-4H3;10H,5-9H2,1-4H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;2*8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;4-ethyl-4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-ylpiperidine?
4,4-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;4-ethyl-4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-ylpiperidine has a molecular weight of 1056.92 g/mol, XLogP of 16.73, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;4-ethyl-4-methyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;6-propan-2-yl-6-azaspiro[2.5]octane;1-propan-2-ylpiperidine is sourced from PubChem (CID 160771818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).