1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine

C16H30BrN — CID 65010517

IUPAC1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine
SMILESCCC1CCCN(CC2(CBr)CCCCCC2)C1
InChIInChI=1S/C16H30BrN/c1-2-15-8-7-11-18(12-15)14-16(13-17)9-5-3-4-6-10-16/h15H,2-14H2,1H3
InChIKeyWABVYEYOWFGRBT-UHFFFAOYSA-N
MW316.33 g/mol
LogP4.84
Rot. Bonds4

About 1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine

1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine (PubChem CID 65010517) has the molecular formula C16H30BrN and a molecular weight of 316.33 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine
PubChem CID65010517
Molecular FormulaC16H30BrN
Molecular Weight316.33 g/mol
Exact Mass315.16
IUPAC Name1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine
SMILESCCC1CCCN(CC2(CBr)CCCCCC2)C1
InChIInChI=1S/C16H30BrN/c1-2-15-8-7-11-18(12-15)14-16(13-17)9-5-3-4-6-10-16/h15H,2-14H2,1H3
InChIKeyWABVYEYOWFGRBT-UHFFFAOYSA-N
XLogP4.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine
CID 106588374
[1-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 62257531
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-propylazepane
CID 65006739
[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112628015
1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine
CID 130548196
4-[[1-(bromomethyl)cycloheptyl]methyl]-1,2-dimethylpiperazine
CID 65008123
N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 113418861
N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 113418866
6-[[1-(bromomethyl)cycloheptyl]methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81200320
1-[[1-(bromomethyl)cycloheptyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 65010468
N-[[3-[(3-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62256133
3-ethyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 63122767

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine?
The IUPAC name of 1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine (CID 65010517) is 1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine.
What is the SMILES notation for 1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine?
The canonical SMILES for 1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine is CCC1CCCN(CC2(CBr)CCCCCC2)C1.
What is the InChIKey of 1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine?
The InChIKey is WABVYEYOWFGRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30BrN/c1-2-15-8-7-11-18(12-15)14-16(13-17)9-5-3-4-6-10-16/h15H,2-14H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine?
1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine has a molecular weight of 316.33 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine is sourced from PubChem (CID 65010517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).