1-[[3-[4-(2-methylpropyl)piperidin-1-yl]cyclobutyl]methyl]-4-(2-propan-2-yloxyethyl)piperidine

C24H46N2O — CID 139545908

IUPAC1-[[3-[4-(2-methylpropyl)piperidin-1-yl]cyclobutyl]methyl]-4-(2-propan-2-yloxyethyl)piperidine
SMILESCC(C)CC1CCN(C2CC(CN3CCC(CCOC(C)C)CC3)C2)CC1
InChIInChI=1S/C24H46N2O/c1-19(2)15-22-7-12-26(13-8-22)24-16-23(17-24)18-25-10-5-21(6-11-25)9-14-27-20(3)4/h19-24H,5-18H2,1-4H3
InChIKeyMASZMOBSZRCNOS-UHFFFAOYSA-N
MW378.65 g/mol
LogP5.05
Rot. Bonds9

About 1-[[3-[4-(2-methylpropyl)piperidin-1-yl]cyclobutyl]methyl]-4-(2-propan-2-yloxyethyl)piperidine

1-[[3-[4-(2-methylpropyl)piperidin-1-yl]cyclobutyl]methyl]-4-(2-propan-2-yloxyethyl)piperidine (PubChem CID 139545908) has the molecular formula C24H46N2O and a molecular weight of 378.65 g/mol. Its IUPAC name is 1-[[3-[4-(2-methylpropyl)piperidin-1-yl]cyclobutyl]methyl]-4-(2-propan-2-yloxyethyl)piperidine.

Molecular Properties

Compound Name1-[[3-[4-(2-methylpropyl)piperidin-1-yl]cyclobutyl]methyl]-4-(2-propan-2-yloxyethyl)piperidine
PubChem CID139545908
Molecular FormulaC24H46N2O
Molecular Weight378.65 g/mol
Exact Mass378.36
IUPAC Name1-[[3-[4-(2-methylpropyl)piperidin-1-yl]cyclobutyl]methyl]-4-(2-propan-2-yloxyethyl)piperidine
SMILESCC(C)CC1CCN(C2CC(CN3CCC(CCOC(C)C)CC3)C2)CC1
InChIInChI=1S/C24H46N2O/c1-19(2)15-22-7-12-26(13-8-22)24-16-23(17-24)18-25-10-5-21(6-11-25)9-14-27-20(3)4/h19-24H,5-18H2,1-4H3
InChIKeyMASZMOBSZRCNOS-UHFFFAOYSA-N
XLogP5.05
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.65
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[4-(2-methylpropyl)piperidin-1-yl]cyclobutyl]methyl]-4-(2-propan-2-yloxyethyl)piperidine?
The IUPAC name of 1-[[3-[4-(2-methylpropyl)piperidin-1-yl]cyclobutyl]methyl]-4-(2-propan-2-yloxyethyl)piperidine (CID 139545908) is 1-[[3-[4-(2-methylpropyl)piperidin-1-yl]cyclobutyl]methyl]-4-(2-propan-2-yloxyethyl)piperidine.
What is the SMILES notation for 1-[[3-[4-(2-methylpropyl)piperidin-1-yl]cyclobutyl]methyl]-4-(2-propan-2-yloxyethyl)piperidine?
The canonical SMILES for 1-[[3-[4-(2-methylpropyl)piperidin-1-yl]cyclobutyl]methyl]-4-(2-propan-2-yloxyethyl)piperidine is CC(C)CC1CCN(C2CC(CN3CCC(CCOC(C)C)CC3)C2)CC1.
What is the InChIKey of 1-[[3-[4-(2-methylpropyl)piperidin-1-yl]cyclobutyl]methyl]-4-(2-propan-2-yloxyethyl)piperidine?
The InChIKey is MASZMOBSZRCNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O/c1-19(2)15-22-7-12-26(13-8-22)24-16-23(17-24)18-25-10-5-21(6-11-25)9-14-27-20(3)4/h19-24H,5-18H2,1-4H3.
What are the key properties of 1-[[3-[4-(2-methylpropyl)piperidin-1-yl]cyclobutyl]methyl]-4-(2-propan-2-yloxyethyl)piperidine?
1-[[3-[4-(2-methylpropyl)piperidin-1-yl]cyclobutyl]methyl]-4-(2-propan-2-yloxyethyl)piperidine has a molecular weight of 378.65 g/mol, XLogP of 5.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[4-(2-methylpropyl)piperidin-1-yl]cyclobutyl]methyl]-4-(2-propan-2-yloxyethyl)piperidine is sourced from PubChem (CID 139545908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).