4-butyl-1-methylpiperidine;3-cyclohexyl-1-methylpiperidine;1-methylpiperidine

C28H57N3 — CID 142193414

IUPAC4-butyl-1-methylpiperidine;3-cyclohexyl-1-methylpiperidine;1-methylpiperidine
SMILESCCCCC1CCN(C)CC1.CN1CCCC(C2CCCCC2)C1.CN1CCCCC1
InChIInChI=1S/C12H23N.C10H21N.C6H13N/c1-13-9-5-8-12(10-13)11-6-3-2-4-7-11;1-3-4-5-10-6-8-11(2)9-7-10;1-7-5-3-2-4-6-7/h11-12H,2-10H2,1H3;10H,3-9H2,1-2H3;2-6H2,1H3
InChIKeyFNXAHJRVAFDARY-UHFFFAOYSA-N
MW435.79 g/mol
LogP6.53
Rot. Bonds4

About 4-butyl-1-methylpiperidine;3-cyclohexyl-1-methylpiperidine;1-methylpiperidine

4-butyl-1-methylpiperidine;3-cyclohexyl-1-methylpiperidine;1-methylpiperidine (PubChem CID 142193414) has the molecular formula C28H57N3 and a molecular weight of 435.79 g/mol. Its IUPAC name is 4-butyl-1-methylpiperidine;3-cyclohexyl-1-methylpiperidine;1-methylpiperidine.

Molecular Properties

Compound Name4-butyl-1-methylpiperidine;3-cyclohexyl-1-methylpiperidine;1-methylpiperidine
PubChem CID142193414
Molecular FormulaC28H57N3
Molecular Weight435.79 g/mol
Exact Mass435.46
IUPAC Name4-butyl-1-methylpiperidine;3-cyclohexyl-1-methylpiperidine;1-methylpiperidine
SMILESCCCCC1CCN(C)CC1.CN1CCCC(C2CCCCC2)C1.CN1CCCCC1
InChIInChI=1S/C12H23N.C10H21N.C6H13N/c1-13-9-5-8-12(10-13)11-6-3-2-4-7-11;1-3-4-5-10-6-8-11(2)9-7-10;1-7-5-3-2-4-6-7/h11-12H,2-10H2,1H3;10H,3-9H2,1-2H3;2-6H2,1H3
InChIKeyFNXAHJRVAFDARY-UHFFFAOYSA-N
XLogP6.53
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.79
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-methylpiperidine;3-cyclohexyl-1-methylpiperidine;1-methylpiperidine?
The IUPAC name of 4-butyl-1-methylpiperidine;3-cyclohexyl-1-methylpiperidine;1-methylpiperidine (CID 142193414) is 4-butyl-1-methylpiperidine;3-cyclohexyl-1-methylpiperidine;1-methylpiperidine.
What is the SMILES notation for 4-butyl-1-methylpiperidine;3-cyclohexyl-1-methylpiperidine;1-methylpiperidine?
The canonical SMILES for 4-butyl-1-methylpiperidine;3-cyclohexyl-1-methylpiperidine;1-methylpiperidine is CCCCC1CCN(C)CC1.CN1CCCC(C2CCCCC2)C1.CN1CCCCC1.
What is the InChIKey of 4-butyl-1-methylpiperidine;3-cyclohexyl-1-methylpiperidine;1-methylpiperidine?
The InChIKey is FNXAHJRVAFDARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C10H21N.C6H13N/c1-13-9-5-8-12(10-13)11-6-3-2-4-7-11;1-3-4-5-10-6-8-11(2)9-7-10;1-7-5-3-2-4-6-7/h11-12H,2-10H2,1H3;10H,3-9H2,1-2H3;2-6H2,1H3.
What are the key properties of 4-butyl-1-methylpiperidine;3-cyclohexyl-1-methylpiperidine;1-methylpiperidine?
4-butyl-1-methylpiperidine;3-cyclohexyl-1-methylpiperidine;1-methylpiperidine has a molecular weight of 435.79 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-methylpiperidine;3-cyclohexyl-1-methylpiperidine;1-methylpiperidine is sourced from PubChem (CID 142193414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).