4-(bromomethyl)-1-(2-propan-2-yloxyethyl)piperidine

C11H22BrNO — CID 80677013

IUPAC4-(bromomethyl)-1-(2-propan-2-yloxyethyl)piperidine
SMILESCC(C)OCCN1CCC(CBr)CC1
InChIInChI=1S/C11H22BrNO/c1-10(2)14-8-7-13-5-3-11(9-12)4-6-13/h10-11H,3-9H2,1-2H3
InChIKeySIXDHTVSEHVEKZ-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.52
Rot. Bonds5

About 4-(bromomethyl)-1-(2-propan-2-yloxyethyl)piperidine

4-(bromomethyl)-1-(2-propan-2-yloxyethyl)piperidine (PubChem CID 80677013) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(2-propan-2-yloxyethyl)piperidine.

Molecular Properties

Compound Name4-(bromomethyl)-1-(2-propan-2-yloxyethyl)piperidine
PubChem CID80677013
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name4-(bromomethyl)-1-(2-propan-2-yloxyethyl)piperidine
SMILESCC(C)OCCN1CCC(CBr)CC1
InChIInChI=1S/C11H22BrNO/c1-10(2)14-8-7-13-5-3-11(9-12)4-6-13/h10-11H,3-9H2,1-2H3
InChIKeySIXDHTVSEHVEKZ-UHFFFAOYSA-N
XLogP2.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.52
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-(2-propan-2-yloxyethyl)piperidin-4-yl]methanamine
CID 61485123
4-bromo-1-(2-propan-2-yloxyethyl)piperidine
CID 80679344
4-(bromomethyl)-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 80676918
N-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592739
N-methyl-1-(2-propan-2-yloxyethyl)piperidin-4-amine;hydrochloride
CID 119923511
3-bromo-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 80676052
ethane;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol
CID 156869049
4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567260
1-cyclopropyl-4-(2-propan-2-yloxyethyl)piperazine
CID 166028340
N-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922056
1-ethyl-4-[2-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]ethyl]piperazine
CID 170364246
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methanesulfonamide
CID 47134700

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(2-propan-2-yloxyethyl)piperidine?
The IUPAC name of 4-(bromomethyl)-1-(2-propan-2-yloxyethyl)piperidine (CID 80677013) is 4-(bromomethyl)-1-(2-propan-2-yloxyethyl)piperidine.
What is the SMILES notation for 4-(bromomethyl)-1-(2-propan-2-yloxyethyl)piperidine?
The canonical SMILES for 4-(bromomethyl)-1-(2-propan-2-yloxyethyl)piperidine is CC(C)OCCN1CCC(CBr)CC1.
What is the InChIKey of 4-(bromomethyl)-1-(2-propan-2-yloxyethyl)piperidine?
The InChIKey is SIXDHTVSEHVEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-10(2)14-8-7-13-5-3-11(9-12)4-6-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-(bromomethyl)-1-(2-propan-2-yloxyethyl)piperidine?
4-(bromomethyl)-1-(2-propan-2-yloxyethyl)piperidine has a molecular weight of 264.21 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(2-propan-2-yloxyethyl)piperidine is sourced from PubChem (CID 80677013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).