1-hexyl-4-[5-(1-hexyl-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)pentan-2-yl]-2,2,6-trimethyl-6-propan-2-ylpiperidine

C39H78N2 — CID 121244604

IUPAC1-hexyl-4-[5-(1-hexyl-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)pentan-2-yl]-2,2,6-trimethyl-6-propan-2-ylpiperidine
SMILESCCCCCCN1C(C)(C)CC(CCCC(C)C2CC(C)(C)N(CCCCCC)C(C)(C(C)C)C2)CC1(C)C(C)C
InChIInChI=1S/C39H78N2/c1-14-16-18-20-25-40-36(8,9)27-34(28-38(40,12)31(3)4)24-22-23-33(7)35-29-37(10,11)41(26-21-19-17-15-2)39(13,30-35)32(5)6/h31-35H,14-30H2,1-13H3
InChIKeyYQYSIYDTKRXYIP-UHFFFAOYSA-N
MW575.07 g/mol
LogP11.76
Rot. Bonds17

About 1-hexyl-4-[5-(1-hexyl-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)pentan-2-yl]-2,2,6-trimethyl-6-propan-2-ylpiperidine

1-hexyl-4-[5-(1-hexyl-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)pentan-2-yl]-2,2,6-trimethyl-6-propan-2-ylpiperidine (PubChem CID 121244604) has the molecular formula C39H78N2 and a molecular weight of 575.07 g/mol. Its IUPAC name is 1-hexyl-4-[5-(1-hexyl-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)pentan-2-yl]-2,2,6-trimethyl-6-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-hexyl-4-[5-(1-hexyl-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)pentan-2-yl]-2,2,6-trimethyl-6-propan-2-ylpiperidine
PubChem CID121244604
Molecular FormulaC39H78N2
Molecular Weight575.07 g/mol
Exact Mass574.62
IUPAC Name1-hexyl-4-[5-(1-hexyl-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)pentan-2-yl]-2,2,6-trimethyl-6-propan-2-ylpiperidine
SMILESCCCCCCN1C(C)(C)CC(CCCC(C)C2CC(C)(C)N(CCCCCC)C(C)(C(C)C)C2)CC1(C)C(C)C
InChIInChI=1S/C39H78N2/c1-14-16-18-20-25-40-36(8,9)27-34(28-38(40,12)31(3)4)24-22-23-33(7)35-29-37(10,11)41(26-21-19-17-15-2)39(13,30-35)32(5)6/h31-35H,14-30H2,1-13H3
InChIKeyYQYSIYDTKRXYIP-UHFFFAOYSA-N
XLogP11.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.07
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-hexyl-4-[5-(1-hexyl-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)pentan-2-yl]-2,2,6-trimethyl-6-propan-2-ylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-[5-(1-hexyl-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)pentan-2-yl]-2,2,6-trimethyl-6-propan-2-ylpiperidine?
The IUPAC name of 1-hexyl-4-[5-(1-hexyl-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)pentan-2-yl]-2,2,6-trimethyl-6-propan-2-ylpiperidine (CID 121244604) is 1-hexyl-4-[5-(1-hexyl-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)pentan-2-yl]-2,2,6-trimethyl-6-propan-2-ylpiperidine.
What is the SMILES notation for 1-hexyl-4-[5-(1-hexyl-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)pentan-2-yl]-2,2,6-trimethyl-6-propan-2-ylpiperidine?
The canonical SMILES for 1-hexyl-4-[5-(1-hexyl-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)pentan-2-yl]-2,2,6-trimethyl-6-propan-2-ylpiperidine is CCCCCCN1C(C)(C)CC(CCCC(C)C2CC(C)(C)N(CCCCCC)C(C)(C(C)C)C2)CC1(C)C(C)C.
What is the InChIKey of 1-hexyl-4-[5-(1-hexyl-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)pentan-2-yl]-2,2,6-trimethyl-6-propan-2-ylpiperidine?
The InChIKey is YQYSIYDTKRXYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H78N2/c1-14-16-18-20-25-40-36(8,9)27-34(28-38(40,12)31(3)4)24-22-23-33(7)35-29-37(10,11)41(26-21-19-17-15-2)39(13,30-35)32(5)6/h31-35H,14-30H2,1-13H3.
What are the key properties of 1-hexyl-4-[5-(1-hexyl-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)pentan-2-yl]-2,2,6-trimethyl-6-propan-2-ylpiperidine?
1-hexyl-4-[5-(1-hexyl-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)pentan-2-yl]-2,2,6-trimethyl-6-propan-2-ylpiperidine has a molecular weight of 575.07 g/mol, XLogP of 11.76, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-[5-(1-hexyl-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)pentan-2-yl]-2,2,6-trimethyl-6-propan-2-ylpiperidine is sourced from PubChem (CID 121244604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).