1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine

C14H26BrNO — CID 102964345

IUPAC1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine
SMILESCOC1CN(CC2(CBr)CCCC2)CCC1C
InChIInChI=1S/C14H26BrNO/c1-12-5-8-16(9-13(12)17-2)11-14(10-15)6-3-4-7-14/h12-13H,3-11H2,1-2H3
InChIKeyUSHFBCIMZSDGHJ-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.30
Rot. Bonds4

About 1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine

1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine (PubChem CID 102964345) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine
PubChem CID102964345
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC Name1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine
SMILESCOC1CN(CC2(CBr)CCCC2)CCC1C
InChIInChI=1S/C14H26BrNO/c1-12-5-8-16(9-13(12)17-2)11-14(10-15)6-3-4-7-14/h12-13H,3-11H2,1-2H3
InChIKeyUSHFBCIMZSDGHJ-UHFFFAOYSA-N
XLogP3.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol
CID 102967517
N-[[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 102967157
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine
CID 65002170
[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol
CID 102967531
[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112628015
1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol
CID 65001565
1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine
CID 106588374
4-[[1-(bromomethyl)cycloheptyl]methyl]-1,2-dimethylpiperazine
CID 65008123
1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine
CID 130548196
1-[[1-(bromomethyl)cycloheptyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 65010468
1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine
CID 65010517
2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol
CID 102969172

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine?
The IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine (CID 102964345) is 1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine is COC1CN(CC2(CBr)CCCC2)CCC1C.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine?
The InChIKey is USHFBCIMZSDGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-12-5-8-16(9-13(12)17-2)11-14(10-15)6-3-4-7-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine?
1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine has a molecular weight of 304.27 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine is sourced from PubChem (CID 102964345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).