1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one

C14H24BrNO — CID 80677357

IUPAC1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(CBr)CC1
InChIInChI=1S/C14H24BrNO/c15-11-13-7-9-16(10-8-13)14(17)6-5-12-3-1-2-4-12/h12-13H,1-11H2
InChIKeyLQMUTVSQVWASON-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.59
Rot. Bonds4

About 1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one

1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one (PubChem CID 80677357) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is 1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
PubChem CID80677357
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC Name1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(CBr)CC1
InChIInChI=1S/C14H24BrNO/c15-11-13-7-9-16(10-8-13)14(17)6-5-12-3-1-2-4-12/h12-13H,1-11H2
InChIKeyLQMUTVSQVWASON-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 80551568
1-(3-cyclohexylpropanoyl)piperidine-4-carboxamide
CID 17312024
1-[4-(2-chloroacetyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 108569580
3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one
CID 121187051
4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide
CID 143680696
4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid
CID 67493280
tert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate
CID 11529681
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 63596026
1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one
CID 80677529
3-[1-(2-cyclohexylacetyl)piperidin-4-yl]propanoic acid
CID 62217126
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 119260463

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one?
The IUPAC name of 1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one (CID 80677357) is 1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one is O=C(CCC1CCCC1)N1CCC(CBr)CC1.
What is the InChIKey of 1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one?
The InChIKey is LQMUTVSQVWASON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO/c15-11-13-7-9-16(10-8-13)14(17)6-5-12-3-1-2-4-12/h12-13H,1-11H2.
What are the key properties of 1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one?
1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one has a molecular weight of 302.26 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one is sourced from PubChem (CID 80677357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).