4-(5-methyloct-3-ynyl)-1-(2-methylpentyl)piperidine

C20H37N — CID 170006256

IUPAC4-(5-methyloct-3-ynyl)-1-(2-methylpentyl)piperidine
SMILESCCCC(C)C#CCCC1CCN(CC(C)CCC)CC1
InChIInChI=1S/C20H37N/c1-5-9-18(3)11-7-8-12-20-13-15-21(16-14-20)17-19(4)10-6-2/h18-20H,5-6,8-10,12-17H2,1-4H3
InChIKeyMHWCGBLGXNSABY-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.35
Rot. Bonds8

About 4-(5-methyloct-3-ynyl)-1-(2-methylpentyl)piperidine

4-(5-methyloct-3-ynyl)-1-(2-methylpentyl)piperidine (PubChem CID 170006256) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 4-(5-methyloct-3-ynyl)-1-(2-methylpentyl)piperidine.

Molecular Properties

Compound Name4-(5-methyloct-3-ynyl)-1-(2-methylpentyl)piperidine
PubChem CID170006256
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name4-(5-methyloct-3-ynyl)-1-(2-methylpentyl)piperidine
SMILESCCCC(C)C#CCCC1CCN(CC(C)CCC)CC1
InChIInChI=1S/C20H37N/c1-5-9-18(3)11-7-8-12-20-13-15-21(16-14-20)17-19(4)10-6-2/h18-20H,5-6,8-10,12-17H2,1-4H3
InChIKeyMHWCGBLGXNSABY-UHFFFAOYSA-N
XLogP5.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine
CID 80544082
(3S)-1-(2-methylpentyl)pyrrolidin-3-amine
CID 115302330
1-(2-methylbutyl)-4-(3-methylpentyl)piperidine
CID 166678927
6-methyl-7-(4-propylpiperidin-1-yl)heptan-2-amine
CID 65295732
3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine
CID 63388562
2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592590
(3R)-1-(2-methylpentyl)pyrrolidin-3-ol
CID 66291662
3-(2-bromoethyl)-1-(2-methylpentyl)piperidine
CID 80690205
1-(2,2-difluoroethyl)-4-propylpiperidine
CID 89323946
1-(4-propylpiperidin-1-yl)propane-2-sulfinic acid
CID 174657454
1-(4-propylpiperidin-1-yl)propane-2-sulfinate
CID 174657453
1-(2-methylpentyl)-3-(trifluoromethyl)piperidine
CID 155261854

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyloct-3-ynyl)-1-(2-methylpentyl)piperidine?
The IUPAC name of 4-(5-methyloct-3-ynyl)-1-(2-methylpentyl)piperidine (CID 170006256) is 4-(5-methyloct-3-ynyl)-1-(2-methylpentyl)piperidine.
What is the SMILES notation for 4-(5-methyloct-3-ynyl)-1-(2-methylpentyl)piperidine?
The canonical SMILES for 4-(5-methyloct-3-ynyl)-1-(2-methylpentyl)piperidine is CCCC(C)C#CCCC1CCN(CC(C)CCC)CC1.
What is the InChIKey of 4-(5-methyloct-3-ynyl)-1-(2-methylpentyl)piperidine?
The InChIKey is MHWCGBLGXNSABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-5-9-18(3)11-7-8-12-20-13-15-21(16-14-20)17-19(4)10-6-2/h18-20H,5-6,8-10,12-17H2,1-4H3.
What are the key properties of 4-(5-methyloct-3-ynyl)-1-(2-methylpentyl)piperidine?
4-(5-methyloct-3-ynyl)-1-(2-methylpentyl)piperidine has a molecular weight of 291.52 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyloct-3-ynyl)-1-(2-methylpentyl)piperidine is sourced from PubChem (CID 170006256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).