1-(5-methyl-2-propan-2-ylcyclohexyl)-4-[3-[1-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-yl]propyl]piperidine

C33H62N2 — CID 19418356

IUPAC1-(5-methyl-2-propan-2-ylcyclohexyl)-4-[3-[1-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-yl]propyl]piperidine
SMILESCC1CCC(C(C)C)C(N2CCC(CCCC3CCN(C4CC(C)CCC4C(C)C)CC3)CC2)C1
InChIInChI=1S/C33H62N2/c1-24(2)30-12-10-26(5)22-32(30)34-18-14-28(15-19-34)8-7-9-29-16-20-35(21-17-29)33-23-27(6)11-13-31(33)25(3)4/h24-33H,7-23H2,1-6H3
InChIKeyBJXHQZVKEQTHJK-UHFFFAOYSA-N
MW486.87 g/mol
LogP8.50
Rot. Bonds8

About 1-(5-methyl-2-propan-2-ylcyclohexyl)-4-[3-[1-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-yl]propyl]piperidine

1-(5-methyl-2-propan-2-ylcyclohexyl)-4-[3-[1-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-yl]propyl]piperidine (PubChem CID 19418356) has the molecular formula C33H62N2 and a molecular weight of 486.87 g/mol. Its IUPAC name is 1-(5-methyl-2-propan-2-ylcyclohexyl)-4-[3-[1-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-yl]propyl]piperidine.

Molecular Properties

Compound Name1-(5-methyl-2-propan-2-ylcyclohexyl)-4-[3-[1-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-yl]propyl]piperidine
PubChem CID19418356
Molecular FormulaC33H62N2
Molecular Weight486.87 g/mol
Exact Mass486.49
IUPAC Name1-(5-methyl-2-propan-2-ylcyclohexyl)-4-[3-[1-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-yl]propyl]piperidine
SMILESCC1CCC(C(C)C)C(N2CCC(CCCC3CCN(C4CC(C)CCC4C(C)C)CC3)CC2)C1
InChIInChI=1S/C33H62N2/c1-24(2)30-12-10-26(5)22-32(30)34-18-14-28(15-19-34)8-7-9-29-16-20-35(21-17-29)33-23-27(6)11-13-31(33)25(3)4/h24-33H,7-23H2,1-6H3
InChIKeyBJXHQZVKEQTHJK-UHFFFAOYSA-N
XLogP8.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.87
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-propan-2-ylcyclohexyl)-4-[3-[1-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-yl]propyl]piperidine?
The IUPAC name of 1-(5-methyl-2-propan-2-ylcyclohexyl)-4-[3-[1-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-yl]propyl]piperidine (CID 19418356) is 1-(5-methyl-2-propan-2-ylcyclohexyl)-4-[3-[1-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-yl]propyl]piperidine.
What is the SMILES notation for 1-(5-methyl-2-propan-2-ylcyclohexyl)-4-[3-[1-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-yl]propyl]piperidine?
The canonical SMILES for 1-(5-methyl-2-propan-2-ylcyclohexyl)-4-[3-[1-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-yl]propyl]piperidine is CC1CCC(C(C)C)C(N2CCC(CCCC3CCN(C4CC(C)CCC4C(C)C)CC3)CC2)C1.
What is the InChIKey of 1-(5-methyl-2-propan-2-ylcyclohexyl)-4-[3-[1-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-yl]propyl]piperidine?
The InChIKey is BJXHQZVKEQTHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H62N2/c1-24(2)30-12-10-26(5)22-32(30)34-18-14-28(15-19-34)8-7-9-29-16-20-35(21-17-29)33-23-27(6)11-13-31(33)25(3)4/h24-33H,7-23H2,1-6H3.
What are the key properties of 1-(5-methyl-2-propan-2-ylcyclohexyl)-4-[3-[1-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-yl]propyl]piperidine?
1-(5-methyl-2-propan-2-ylcyclohexyl)-4-[3-[1-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-yl]propyl]piperidine has a molecular weight of 486.87 g/mol, XLogP of 8.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-propan-2-ylcyclohexyl)-4-[3-[1-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-yl]propyl]piperidine is sourced from PubChem (CID 19418356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).