1-(3,3-dimethylbutyl)-4-[2,2-dimethyl-4-(2-methylpiperidin-1-yl)butyl]-3-methylpiperidine

C24H48N2 — CID 155456544

IUPAC1-(3,3-dimethylbutyl)-4-[2,2-dimethyl-4-(2-methylpiperidin-1-yl)butyl]-3-methylpiperidine
SMILESCC1CN(CCC(C)(C)C)CCC1CC(C)(C)CCN1CCCCC1C
InChIInChI=1S/C24H48N2/c1-20-19-25(16-12-23(3,4)5)15-11-22(20)18-24(6,7)13-17-26-14-9-8-10-21(26)2/h20-22H,8-19H2,1-7H3
InChIKeyBHUGRQNMVYUPMT-UHFFFAOYSA-N
MW364.66 g/mol
LogP6.06
Rot. Bonds7

About 1-(3,3-dimethylbutyl)-4-[2,2-dimethyl-4-(2-methylpiperidin-1-yl)butyl]-3-methylpiperidine

1-(3,3-dimethylbutyl)-4-[2,2-dimethyl-4-(2-methylpiperidin-1-yl)butyl]-3-methylpiperidine (PubChem CID 155456544) has the molecular formula C24H48N2 and a molecular weight of 364.66 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-4-[2,2-dimethyl-4-(2-methylpiperidin-1-yl)butyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-4-[2,2-dimethyl-4-(2-methylpiperidin-1-yl)butyl]-3-methylpiperidine
PubChem CID155456544
Molecular FormulaC24H48N2
Molecular Weight364.66 g/mol
Exact Mass364.38
IUPAC Name1-(3,3-dimethylbutyl)-4-[2,2-dimethyl-4-(2-methylpiperidin-1-yl)butyl]-3-methylpiperidine
SMILESCC1CN(CCC(C)(C)C)CCC1CC(C)(C)CCN1CCCCC1C
InChIInChI=1S/C24H48N2/c1-20-19-25(16-12-23(3,4)5)15-11-22(20)18-24(6,7)13-17-26-14-9-8-10-21(26)2/h20-22H,8-19H2,1-7H3
InChIKeyBHUGRQNMVYUPMT-UHFFFAOYSA-N
XLogP6.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-4-[2,2-dimethyl-4-(2-methylpiperidin-1-yl)butyl]-3-methylpiperidine?
The IUPAC name of 1-(3,3-dimethylbutyl)-4-[2,2-dimethyl-4-(2-methylpiperidin-1-yl)butyl]-3-methylpiperidine (CID 155456544) is 1-(3,3-dimethylbutyl)-4-[2,2-dimethyl-4-(2-methylpiperidin-1-yl)butyl]-3-methylpiperidine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-4-[2,2-dimethyl-4-(2-methylpiperidin-1-yl)butyl]-3-methylpiperidine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-4-[2,2-dimethyl-4-(2-methylpiperidin-1-yl)butyl]-3-methylpiperidine is CC1CN(CCC(C)(C)C)CCC1CC(C)(C)CCN1CCCCC1C.
What is the InChIKey of 1-(3,3-dimethylbutyl)-4-[2,2-dimethyl-4-(2-methylpiperidin-1-yl)butyl]-3-methylpiperidine?
The InChIKey is BHUGRQNMVYUPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2/c1-20-19-25(16-12-23(3,4)5)15-11-22(20)18-24(6,7)13-17-26-14-9-8-10-21(26)2/h20-22H,8-19H2,1-7H3.
What are the key properties of 1-(3,3-dimethylbutyl)-4-[2,2-dimethyl-4-(2-methylpiperidin-1-yl)butyl]-3-methylpiperidine?
1-(3,3-dimethylbutyl)-4-[2,2-dimethyl-4-(2-methylpiperidin-1-yl)butyl]-3-methylpiperidine has a molecular weight of 364.66 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-4-[2,2-dimethyl-4-(2-methylpiperidin-1-yl)butyl]-3-methylpiperidine is sourced from PubChem (CID 155456544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).