2-[1-[2-(bromomethyl)-2-propylpentyl]piperidin-4-yl]acetamide

C16H31BrN2O — CID 65005472

IUPAC2-[1-[2-(bromomethyl)-2-propylpentyl]piperidin-4-yl]acetamide
SMILESCCCC(CBr)(CCC)CN1CCC(CC(N)=O)CC1
InChIInChI=1S/C16H31BrN2O/c1-3-7-16(12-17,8-4-2)13-19-9-5-14(6-10-19)11-15(18)20/h14H,3-13H2,1-2H3,(H2,18,20)
InChIKeyDGXLYWKXMIXGNC-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.56
Rot. Bonds9

About 2-[1-[2-(bromomethyl)-2-propylpentyl]piperidin-4-yl]acetamide

2-[1-[2-(bromomethyl)-2-propylpentyl]piperidin-4-yl]acetamide (PubChem CID 65005472) has the molecular formula C16H31BrN2O and a molecular weight of 347.34 g/mol. Its IUPAC name is 2-[1-[2-(bromomethyl)-2-propylpentyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(bromomethyl)-2-propylpentyl]piperidin-4-yl]acetamide
PubChem CID65005472
Molecular FormulaC16H31BrN2O
Molecular Weight347.34 g/mol
Exact Mass346.16
IUPAC Name2-[1-[2-(bromomethyl)-2-propylpentyl]piperidin-4-yl]acetamide
SMILESCCCC(CBr)(CCC)CN1CCC(CC(N)=O)CC1
InChIInChI=1S/C16H31BrN2O/c1-3-7-16(12-17,8-4-2)13-19-9-5-14(6-10-19)11-15(18)20/h14H,3-13H2,1-2H3,(H2,18,20)
InChIKeyDGXLYWKXMIXGNC-UHFFFAOYSA-N
XLogP3.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(bromomethyl)-2-propylpentyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 65005026
1-[2-(bromomethyl)-2-propylpentyl]-3-methylpiperidine
CID 65005316
1-[2-(bromomethyl)-2-propylpentyl]-4,4-dimethylazepane
CID 65283083
2-[1-(2-methyltridecan-2-yl)piperidin-4-yl]acetamide
CID 67680706
2-[1-(2,2-diethoxyethyl)piperidin-4-yl]acetamide
CID 55249753
1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 65003733
2-[1-(3,3-diethoxypropyl)piperidin-4-yl]acetamide
CID 63628259
4-[2-(bromomethyl)-2-propylpentyl]-2,6-dimethylmorpholine
CID 65005268
2-[1-(5-hydroxypentyl)piperidin-4-yl]acetamide
CID 62228799
2-[1-[(2R)-2-[(3S)-3-butyl-2-oxopiperazin-1-yl]-2-formylhexyl]piperidin-4-yl]acetamide
CID 166659397
2-methyl-1-(4-propylpiperidin-1-yl)pentan-2-amine
CID 62204904
[1-[2-propyl-2-(sulfanylmethyl)pentyl]pyrrolidin-3-yl]methanol
CID 112629447

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(bromomethyl)-2-propylpentyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[2-(bromomethyl)-2-propylpentyl]piperidin-4-yl]acetamide (CID 65005472) is 2-[1-[2-(bromomethyl)-2-propylpentyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[2-(bromomethyl)-2-propylpentyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[2-(bromomethyl)-2-propylpentyl]piperidin-4-yl]acetamide is CCCC(CBr)(CCC)CN1CCC(CC(N)=O)CC1.
What is the InChIKey of 2-[1-[2-(bromomethyl)-2-propylpentyl]piperidin-4-yl]acetamide?
The InChIKey is DGXLYWKXMIXGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31BrN2O/c1-3-7-16(12-17,8-4-2)13-19-9-5-14(6-10-19)11-15(18)20/h14H,3-13H2,1-2H3,(H2,18,20).
What are the key properties of 2-[1-[2-(bromomethyl)-2-propylpentyl]piperidin-4-yl]acetamide?
2-[1-[2-(bromomethyl)-2-propylpentyl]piperidin-4-yl]acetamide has a molecular weight of 347.34 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(bromomethyl)-2-propylpentyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 65005472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).