1-(3-methylbutyl)-4-[1-[3-[4-[4-(3-methylbutyl)phenyl]piperidin-1-yl]propyl]piperidin-4-yl]piperidine

C34H59N3 — CID 59110950

IUPAC1-(3-methylbutyl)-4-[1-[3-[4-[4-(3-methylbutyl)phenyl]piperidin-1-yl]propyl]piperidin-4-yl]piperidine
SMILESCC(C)CCc1ccc(C2CCN(CCCN3CCC(C4CCN(CCC(C)C)CC4)CC3)CC2)cc1
InChIInChI=1S/C34H59N3/c1-28(2)6-7-30-8-10-31(11-9-30)32-13-22-35(23-14-32)19-5-20-36-24-15-33(16-25-36)34-17-26-37(27-18-34)21-12-29(3)4/h8-11,28-29,32-34H,5-7,12-27H2,1-4H3
InChIKeyHJYBIWZRVPRFRT-UHFFFAOYSA-N
MW509.87 g/mol
LogP7.31
Rot. Bonds12

About 1-(3-methylbutyl)-4-[1-[3-[4-[4-(3-methylbutyl)phenyl]piperidin-1-yl]propyl]piperidin-4-yl]piperidine

1-(3-methylbutyl)-4-[1-[3-[4-[4-(3-methylbutyl)phenyl]piperidin-1-yl]propyl]piperidin-4-yl]piperidine (PubChem CID 59110950) has the molecular formula C34H59N3 and a molecular weight of 509.87 g/mol. Its IUPAC name is 1-(3-methylbutyl)-4-[1-[3-[4-[4-(3-methylbutyl)phenyl]piperidin-1-yl]propyl]piperidin-4-yl]piperidine.

Molecular Properties

Compound Name1-(3-methylbutyl)-4-[1-[3-[4-[4-(3-methylbutyl)phenyl]piperidin-1-yl]propyl]piperidin-4-yl]piperidine
PubChem CID59110950
Molecular FormulaC34H59N3
Molecular Weight509.87 g/mol
Exact Mass509.47
IUPAC Name1-(3-methylbutyl)-4-[1-[3-[4-[4-(3-methylbutyl)phenyl]piperidin-1-yl]propyl]piperidin-4-yl]piperidine
SMILESCC(C)CCc1ccc(C2CCN(CCCN3CCC(C4CCN(CCC(C)C)CC4)CC3)CC2)cc1
InChIInChI=1S/C34H59N3/c1-28(2)6-7-30-8-10-31(11-9-30)32-13-22-35(23-14-32)19-5-20-36-24-15-33(16-25-36)34-17-26-37(27-18-34)21-12-29(3)4/h8-11,28-29,32-34H,5-7,12-27H2,1-4H3
InChIKeyHJYBIWZRVPRFRT-UHFFFAOYSA-N
XLogP7.31
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.87
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxy-4-propan-2-ylphenyl)-1-(3-methylbutyl)piperidine
CID 176934813
4-phenyl-1-(3-phenylbutyl)piperidine
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4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine
CID 116988351
4-benzyl-1-(4-methylpentyl)piperidine
CID 155778719
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
4-(1-butylpiperidin-4-yl)phenol
CID 10663044
2-[4-(4-ethylphenyl)piperidin-1-yl]ethanamine
CID 82128932
4-(4-chlorophenyl)-1-pentylpiperidine
CID 66635369
1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975660
N-ethyl-N-methyl-1-(3-methylbutyl)piperidin-4-amine
CID 155404879
3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine
CID 82131800

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-4-[1-[3-[4-[4-(3-methylbutyl)phenyl]piperidin-1-yl]propyl]piperidin-4-yl]piperidine?
The IUPAC name of 1-(3-methylbutyl)-4-[1-[3-[4-[4-(3-methylbutyl)phenyl]piperidin-1-yl]propyl]piperidin-4-yl]piperidine (CID 59110950) is 1-(3-methylbutyl)-4-[1-[3-[4-[4-(3-methylbutyl)phenyl]piperidin-1-yl]propyl]piperidin-4-yl]piperidine.
What is the SMILES notation for 1-(3-methylbutyl)-4-[1-[3-[4-[4-(3-methylbutyl)phenyl]piperidin-1-yl]propyl]piperidin-4-yl]piperidine?
The canonical SMILES for 1-(3-methylbutyl)-4-[1-[3-[4-[4-(3-methylbutyl)phenyl]piperidin-1-yl]propyl]piperidin-4-yl]piperidine is CC(C)CCc1ccc(C2CCN(CCCN3CCC(C4CCN(CCC(C)C)CC4)CC3)CC2)cc1.
What is the InChIKey of 1-(3-methylbutyl)-4-[1-[3-[4-[4-(3-methylbutyl)phenyl]piperidin-1-yl]propyl]piperidin-4-yl]piperidine?
The InChIKey is HJYBIWZRVPRFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H59N3/c1-28(2)6-7-30-8-10-31(11-9-30)32-13-22-35(23-14-32)19-5-20-36-24-15-33(16-25-36)34-17-26-37(27-18-34)21-12-29(3)4/h8-11,28-29,32-34H,5-7,12-27H2,1-4H3.
What are the key properties of 1-(3-methylbutyl)-4-[1-[3-[4-[4-(3-methylbutyl)phenyl]piperidin-1-yl]propyl]piperidin-4-yl]piperidine?
1-(3-methylbutyl)-4-[1-[3-[4-[4-(3-methylbutyl)phenyl]piperidin-1-yl]propyl]piperidin-4-yl]piperidine has a molecular weight of 509.87 g/mol, XLogP of 7.31, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-4-[1-[3-[4-[4-(3-methylbutyl)phenyl]piperidin-1-yl]propyl]piperidin-4-yl]piperidine is sourced from PubChem (CID 59110950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).