1-tert-butyl-4-[[4-(3-methylbutan-2-yl)piperidin-1-yl]methyl]piperidine

C20H40N2 — CID 146549058

IUPAC1-tert-butyl-4-[[4-(3-methylbutan-2-yl)piperidin-1-yl]methyl]piperidine
SMILESCC(C)C(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H40N2/c1-16(2)17(3)19-9-11-21(12-10-19)15-18-7-13-22(14-8-18)20(4,5)6/h16-19H,7-15H2,1-6H3
InChIKeyUDHDFCUTEGYLNT-UHFFFAOYSA-N
MW308.55 g/mol
LogP4.50
Rot. Bonds4

About 1-tert-butyl-4-[[4-(3-methylbutan-2-yl)piperidin-1-yl]methyl]piperidine

1-tert-butyl-4-[[4-(3-methylbutan-2-yl)piperidin-1-yl]methyl]piperidine (PubChem CID 146549058) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 1-tert-butyl-4-[[4-(3-methylbutan-2-yl)piperidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[[4-(3-methylbutan-2-yl)piperidin-1-yl]methyl]piperidine
PubChem CID146549058
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name1-tert-butyl-4-[[4-(3-methylbutan-2-yl)piperidin-1-yl]methyl]piperidine
SMILESCC(C)C(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H40N2/c1-16(2)17(3)19-9-11-21(12-10-19)15-18-7-13-22(14-8-18)20(4,5)6/h16-19H,7-15H2,1-6H3
InChIKeyUDHDFCUTEGYLNT-UHFFFAOYSA-N
XLogP4.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[4-(3-methylbutan-2-yl)piperidin-1-yl]methyl]piperidine?
The IUPAC name of 1-tert-butyl-4-[[4-(3-methylbutan-2-yl)piperidin-1-yl]methyl]piperidine (CID 146549058) is 1-tert-butyl-4-[[4-(3-methylbutan-2-yl)piperidin-1-yl]methyl]piperidine.
What is the SMILES notation for 1-tert-butyl-4-[[4-(3-methylbutan-2-yl)piperidin-1-yl]methyl]piperidine?
The canonical SMILES for 1-tert-butyl-4-[[4-(3-methylbutan-2-yl)piperidin-1-yl]methyl]piperidine is CC(C)C(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-tert-butyl-4-[[4-(3-methylbutan-2-yl)piperidin-1-yl]methyl]piperidine?
The InChIKey is UDHDFCUTEGYLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-16(2)17(3)19-9-11-21(12-10-19)15-18-7-13-22(14-8-18)20(4,5)6/h16-19H,7-15H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[[4-(3-methylbutan-2-yl)piperidin-1-yl]methyl]piperidine?
1-tert-butyl-4-[[4-(3-methylbutan-2-yl)piperidin-1-yl]methyl]piperidine has a molecular weight of 308.55 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[4-(3-methylbutan-2-yl)piperidin-1-yl]methyl]piperidine is sourced from PubChem (CID 146549058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).