1-(3,3-dimethylpentyl)-4-[[4-(4-methylheptan-4-yl)piperidin-1-yl]methyl]piperazine

C25H51N3 — CID 155135209

IUPAC1-(3,3-dimethylpentyl)-4-[[4-(4-methylheptan-4-yl)piperidin-1-yl]methyl]piperazine
SMILESCCCC(C)(CCC)C1CCN(CN2CCN(CCC(C)(C)CC)CC2)CC1
InChIInChI=1S/C25H51N3/c1-7-12-25(6,13-8-2)23-10-15-27(16-11-23)22-28-20-18-26(19-21-28)17-14-24(4,5)9-3/h23H,7-22H2,1-6H3
InChIKeyNGIGMYNTIPXZFC-UHFFFAOYSA-N
MW393.70 g/mol
LogP5.71
Rot. Bonds11

About 1-(3,3-dimethylpentyl)-4-[[4-(4-methylheptan-4-yl)piperidin-1-yl]methyl]piperazine

1-(3,3-dimethylpentyl)-4-[[4-(4-methylheptan-4-yl)piperidin-1-yl]methyl]piperazine (PubChem CID 155135209) has the molecular formula C25H51N3 and a molecular weight of 393.70 g/mol. Its IUPAC name is 1-(3,3-dimethylpentyl)-4-[[4-(4-methylheptan-4-yl)piperidin-1-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(3,3-dimethylpentyl)-4-[[4-(4-methylheptan-4-yl)piperidin-1-yl]methyl]piperazine
PubChem CID155135209
Molecular FormulaC25H51N3
Molecular Weight393.70 g/mol
Exact Mass393.41
IUPAC Name1-(3,3-dimethylpentyl)-4-[[4-(4-methylheptan-4-yl)piperidin-1-yl]methyl]piperazine
SMILESCCCC(C)(CCC)C1CCN(CN2CCN(CCC(C)(C)CC)CC2)CC1
InChIInChI=1S/C25H51N3/c1-7-12-25(6,13-8-2)23-10-15-27(16-11-23)22-28-20-18-26(19-21-28)17-14-24(4,5)9-3/h23H,7-22H2,1-6H3
InChIKeyNGIGMYNTIPXZFC-UHFFFAOYSA-N
XLogP5.71
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.70
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,3-dimethylpentyl)-4-[[4-(4-methylheptan-4-yl)piperidin-1-yl]methyl]piperazine with MolForge

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Related Compounds

2-[4-(3,3-dimethylpentyl)piperidin-1-yl]ethanol
CID 134256232
1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine
CID 134335583
3,3-dimethylhexane
CID 11233
2-cyclopropyl-2-methylpentan-1-ol
CID 83151600
1-ethyl-4-(3-ethyl-3-methylpentyl)piperazine
CID 134441401
1-methyl-3-(5-methylnonan-5-yl)pyrrolidine
CID 170333732
1-(3,3-dimethylnonyl)-4-methylpiperazine
CID 130279458
1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
CID 135173969
4-(4-ethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine
CID 65249831
4-(2,4-dimethylpentan-2-yl)-1-propylpiperidine
CID 177203749
3,3-dimethylpentyl 3-[4-[3-[1-[3-(3,3-dimethylpentoxy)-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanoate
CID 123904684
1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine
CID 176826648

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpentyl)-4-[[4-(4-methylheptan-4-yl)piperidin-1-yl]methyl]piperazine?
The IUPAC name of 1-(3,3-dimethylpentyl)-4-[[4-(4-methylheptan-4-yl)piperidin-1-yl]methyl]piperazine (CID 155135209) is 1-(3,3-dimethylpentyl)-4-[[4-(4-methylheptan-4-yl)piperidin-1-yl]methyl]piperazine.
What is the SMILES notation for 1-(3,3-dimethylpentyl)-4-[[4-(4-methylheptan-4-yl)piperidin-1-yl]methyl]piperazine?
The canonical SMILES for 1-(3,3-dimethylpentyl)-4-[[4-(4-methylheptan-4-yl)piperidin-1-yl]methyl]piperazine is CCCC(C)(CCC)C1CCN(CN2CCN(CCC(C)(C)CC)CC2)CC1.
What is the InChIKey of 1-(3,3-dimethylpentyl)-4-[[4-(4-methylheptan-4-yl)piperidin-1-yl]methyl]piperazine?
The InChIKey is NGIGMYNTIPXZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51N3/c1-7-12-25(6,13-8-2)23-10-15-27(16-11-23)22-28-20-18-26(19-21-28)17-14-24(4,5)9-3/h23H,7-22H2,1-6H3.
What are the key properties of 1-(3,3-dimethylpentyl)-4-[[4-(4-methylheptan-4-yl)piperidin-1-yl]methyl]piperazine?
1-(3,3-dimethylpentyl)-4-[[4-(4-methylheptan-4-yl)piperidin-1-yl]methyl]piperazine has a molecular weight of 393.70 g/mol, XLogP of 5.71, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpentyl)-4-[[4-(4-methylheptan-4-yl)piperidin-1-yl]methyl]piperazine is sourced from PubChem (CID 155135209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).