4-(bromomethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine

C12H22BrNO — CID 103139885

IUPAC4-(bromomethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine
SMILESCC1CCC(CN2CCC(CBr)CC2)O1
InChIInChI=1S/C12H22BrNO/c1-10-2-3-12(15-10)9-14-6-4-11(8-13)5-7-14/h10-12H,2-9H2,1H3
InChIKeyULBLWKFEBZJHLW-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.66
Rot. Bonds3

About 4-(bromomethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine

4-(bromomethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine (PubChem CID 103139885) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is 4-(bromomethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(bromomethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine
PubChem CID103139885
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC Name4-(bromomethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine
SMILESCC1CCC(CN2CCC(CBr)CC2)O1
InChIInChI=1S/C12H22BrNO/c1-10-2-3-12(15-10)9-14-6-4-11(8-13)5-7-14/h10-12H,2-9H2,1H3
InChIKeyULBLWKFEBZJHLW-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.66
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

2-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 103137712
4-bromo-3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperidine
CID 103140046
4-methyl-1-[(5-methyloxolan-2-yl)methyl]piperidin-4-ol
CID 103137665
3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid
CID 82838620
2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]acetic acid
CID 82839087
(3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol
CID 103137660
1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107110097
1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid
CID 103136020
2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanenitrile
CID 103134211
(3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol
CID 107225929
2-methyl-2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanethioamide
CID 103134287
1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 82838775

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine?
The IUPAC name of 4-(bromomethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine (CID 103139885) is 4-(bromomethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine.
What is the SMILES notation for 4-(bromomethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine?
The canonical SMILES for 4-(bromomethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine is CC1CCC(CN2CCC(CBr)CC2)O1.
What is the InChIKey of 4-(bromomethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine?
The InChIKey is ULBLWKFEBZJHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-10-2-3-12(15-10)9-14-6-4-11(8-13)5-7-14/h10-12H,2-9H2,1H3.
What are the key properties of 4-(bromomethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine?
4-(bromomethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine has a molecular weight of 276.22 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine is sourced from PubChem (CID 103139885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).