1-cyclobutyl-4-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;methane;3-methyl-1-(4-methylpentyl)piperidine;2-methyl-1-(4-methylpentyl)pyrrolidine;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine

C68H142N6 — CID 158413632

IUPAC1-cyclobutyl-4-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;methane;3-methyl-1-(4-methylpentyl)piperidine;2-methyl-1-(4-methylpentyl)pyrrolidine;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine
SMILESC.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C2CCC2)CC1.CC(C)CCCN1CCCC(C)C1.CC(C)CCCN1CCCC1.CC(C)CCCN1CCCC1C.CC(C)CCCN1CCCCC1
InChIInChI=1S/C12H23N.C12H25N.3C11H23N.C10H21N.CH4/c1-10(2)11-6-8-13(9-7-11)12-4-3-5-12;1-11(2)6-4-8-13-9-5-7-12(3)10-13;1-9(2)11-5-7-12(8-6-11)10(3)4;1-10(2)6-4-8-12-9-5-7-11(12)3;1-11(2)7-6-10-12-8-4-3-5-9-12;1-10(2)6-5-9-11-7-3-4-8-11;/h10-12H,3-9H2,1-2H3;11-12H,4-10H2,1-3H3;9-11H,5-8H2,1-4H3;10-11H,4-9H2,1-3H3;11H,3-10H2,1-2H3;10H,3-9H2,1-2H3;1H4
InChIKeyGZPOJFXFUIJRMN-UHFFFAOYSA-N
MW1043.93 g/mol
LogP17.79
Rot. Bonds20

About 1-cyclobutyl-4-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;methane;3-methyl-1-(4-methylpentyl)piperidine;2-methyl-1-(4-methylpentyl)pyrrolidine;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine

1-cyclobutyl-4-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;methane;3-methyl-1-(4-methylpentyl)piperidine;2-methyl-1-(4-methylpentyl)pyrrolidine;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine (PubChem CID 158413632) has the molecular formula C68H142N6 and a molecular weight of 1043.93 g/mol. Its IUPAC name is 1-cyclobutyl-4-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;methane;3-methyl-1-(4-methylpentyl)piperidine;2-methyl-1-(4-methylpentyl)pyrrolidine;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine.

Molecular Properties

Compound Name1-cyclobutyl-4-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;methane;3-methyl-1-(4-methylpentyl)piperidine;2-methyl-1-(4-methylpentyl)pyrrolidine;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine
PubChem CID158413632
Molecular FormulaC68H142N6
Molecular Weight1043.93 g/mol
Exact Mass1043.13
IUPAC Name1-cyclobutyl-4-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;methane;3-methyl-1-(4-methylpentyl)piperidine;2-methyl-1-(4-methylpentyl)pyrrolidine;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine
SMILESC.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C2CCC2)CC1.CC(C)CCCN1CCCC(C)C1.CC(C)CCCN1CCCC1.CC(C)CCCN1CCCC1C.CC(C)CCCN1CCCCC1
InChIInChI=1S/C12H23N.C12H25N.3C11H23N.C10H21N.CH4/c1-10(2)11-6-8-13(9-7-11)12-4-3-5-12;1-11(2)6-4-8-13-9-5-7-12(3)10-13;1-9(2)11-5-7-12(8-6-11)10(3)4;1-10(2)6-4-8-12-9-5-7-11(12)3;1-11(2)7-6-10-12-8-4-3-5-9-12;1-10(2)6-5-9-11-7-3-4-8-11;/h10-12H,3-9H2,1-2H3;11-12H,4-10H2,1-3H3;9-11H,5-8H2,1-4H3;10-11H,4-9H2,1-3H3;11H,3-10H2,1-2H3;10H,3-9H2,1-2H3;1H4
InChIKeyGZPOJFXFUIJRMN-UHFFFAOYSA-N
XLogP17.79
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.93
LogP ≤ 517.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-cyclobutyl-4-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;methane;3-methyl-1-(4-methylpentyl)piperidine;2-methyl-1-(4-methylpentyl)pyrrolidine;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;methane;3-methyl-1-(4-methylpentyl)piperidine;2-methyl-1-(4-methylpentyl)pyrrolidine;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine?
The IUPAC name of 1-cyclobutyl-4-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;methane;3-methyl-1-(4-methylpentyl)piperidine;2-methyl-1-(4-methylpentyl)pyrrolidine;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine (CID 158413632) is 1-cyclobutyl-4-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;methane;3-methyl-1-(4-methylpentyl)piperidine;2-methyl-1-(4-methylpentyl)pyrrolidine;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine.
What is the SMILES notation for 1-cyclobutyl-4-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;methane;3-methyl-1-(4-methylpentyl)piperidine;2-methyl-1-(4-methylpentyl)pyrrolidine;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine?
The canonical SMILES for 1-cyclobutyl-4-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;methane;3-methyl-1-(4-methylpentyl)piperidine;2-methyl-1-(4-methylpentyl)pyrrolidine;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine is C.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C2CCC2)CC1.CC(C)CCCN1CCCC(C)C1.CC(C)CCCN1CCCC1.CC(C)CCCN1CCCC1C.CC(C)CCCN1CCCCC1.
What is the InChIKey of 1-cyclobutyl-4-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;methane;3-methyl-1-(4-methylpentyl)piperidine;2-methyl-1-(4-methylpentyl)pyrrolidine;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine?
The InChIKey is GZPOJFXFUIJRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C12H25N.3C11H23N.C10H21N.CH4/c1-10(2)11-6-8-13(9-7-11)12-4-3-5-12;1-11(2)6-4-8-13-9-5-7-12(3)10-13;1-9(2)11-5-7-12(8-6-11)10(3)4;1-10(2)6-4-8-12-9-5-7-11(12)3;1-11(2)7-6-10-12-8-4-3-5-9-12;1-10(2)6-5-9-11-7-3-4-8-11;/h10-12H,3-9H2,1-2H3;11-12H,4-10H2,1-3H3;9-11H,5-8H2,1-4H3;10-11H,4-9H2,1-3H3;11H,3-10H2,1-2H3;10H,3-9H2,1-2H3;1H4.
What are the key properties of 1-cyclobutyl-4-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;methane;3-methyl-1-(4-methylpentyl)piperidine;2-methyl-1-(4-methylpentyl)pyrrolidine;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine?
1-cyclobutyl-4-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;methane;3-methyl-1-(4-methylpentyl)piperidine;2-methyl-1-(4-methylpentyl)pyrrolidine;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine has a molecular weight of 1043.93 g/mol, XLogP of 17.79, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperidine;methane;3-methyl-1-(4-methylpentyl)piperidine;2-methyl-1-(4-methylpentyl)pyrrolidine;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine is sourced from PubChem (CID 158413632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).